From ae846e4a9ff611575c053e1544123ddc9a31f72d Mon Sep 17 00:00:00 2001 From: Dominic Oram Date: Thu, 27 Feb 2025 16:53:38 +0000 Subject: [PATCH 1/8] Fix type hints on DeepDiff constructor --- deepdiff/diff.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/deepdiff/diff.py b/deepdiff/diff.py index 76f186b3..9a8940f5 100755 --- a/deepdiff/diff.py +++ b/deepdiff/diff.py @@ -131,7 +131,7 @@ def __init__(self, encodings: Optional[List[str]]=None, exclude_obj_callback: Optional[Callable]=None, exclude_obj_callback_strict: Optional[Callable]=None, - exclude_paths: Union[str, List[str]]=None, + exclude_paths: Union[str, List[str], None]=None, exclude_regex_paths: Union[str, List[str], Pattern[str], List[Pattern[str]], None]=None, exclude_types: Optional[List[Any]]=None, get_deep_distance: bool=False, @@ -151,7 +151,7 @@ def __init__(self, ignore_type_subclasses: bool=False, include_obj_callback: Optional[Callable]=None, include_obj_callback_strict: Optional[Callable]=None, - include_paths: Union[str, List[str]]=None, + include_paths: Union[str, List[str], None]=None, iterable_compare_func: Optional[Callable]=None, log_frequency_in_sec: int=0, math_epsilon: Optional[float]=None, From e4800c72c6e7c959ccdbadd05661d056e21118d1 Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 11:27:04 -0800 Subject: [PATCH 2/8] adding summarization function --- conftest.py | 6 ++++++ deepdiff/deephash.py | 9 ++++++--- deepdiff/delta.py | 6 +++--- deepdiff/model.py | 18 +++++++++++------- deepdiff/serialization.py | 2 ++ tests/test_cache.py | 1 + tests/test_delta.py | 5 +++-- tests/test_hash.py | 2 +- tests/test_model.py | 14 +++++++------- 9 files changed, 40 insertions(+), 23 deletions(-) diff --git a/conftest.py b/conftest.py index 263b1296..dc469340 100644 --- a/conftest.py +++ b/conftest.py @@ -46,6 +46,12 @@ def nested_a_result(): return json.load(the_file) +@pytest.fixture(scope='function') +def compounds(): + with open(os.path.join(FIXTURES_DIR, 'compounds.json')) as the_file: + return json.load(the_file) + + @pytest.fixture(scope='class') def nested_a_affected_paths(): return { diff --git a/deepdiff/deephash.py b/deepdiff/deephash.py index 1f293bd4..18c90bd5 100644 --- a/deepdiff/deephash.py +++ b/deepdiff/deephash.py @@ -11,8 +11,10 @@ convert_item_or_items_into_set_else_none, get_doc, convert_item_or_items_into_compiled_regexes_else_none, get_id, type_is_subclass_of_type_group, type_in_type_group, - number_to_string, datetime_normalize, KEY_TO_VAL_STR, short_repr, + number_to_string, datetime_normalize, KEY_TO_VAL_STR, get_truncate_datetime, dict_, add_root_to_paths, PydanticBaseModel) + +from deepdiff.summarize import summarize from deepdiff.base import Base try: @@ -315,9 +317,10 @@ def __repr__(self): """ Hide the counts since it will be confusing to see them when they are hidden everywhere else. """ - return short_repr(self._get_objects_to_hashes_dict(extract_index=0), max_length=500) + return summarize(self._get_objects_to_hashes_dict(extract_index=0), max_length=500) - __str__ = __repr__ + def __str__(self): + return str(self._get_objects_to_hashes_dict(extract_index=0)) def __bool__(self): return bool(self.hashes) diff --git a/deepdiff/delta.py b/deepdiff/delta.py index 8bafc9a6..63fea815 100644 --- a/deepdiff/delta.py +++ b/deepdiff/delta.py @@ -7,7 +7,7 @@ from deepdiff import DeepDiff from deepdiff.serialization import pickle_load, pickle_dump from deepdiff.helper import ( - strings, short_repr, numbers, + strings, numbers, np_ndarray, np_array_factory, numpy_dtypes, get_doc, not_found, numpy_dtype_string_to_type, dict_, Opcode, FlatDeltaRow, UnkownValueCode, FlatDataAction, @@ -20,7 +20,7 @@ GET, GETATTR, parse_path, stringify_path, ) from deepdiff.anyset import AnySet - +from deepdiff.summarize import summarize logger = logging.getLogger(__name__) @@ -165,7 +165,7 @@ def _deserializer(obj, safe_to_import=None): self.reset() def __repr__(self): - return "".format(short_repr(self.diff, max_length=100)) + return "".format(summarize(self.diff, max_length=100)) def reset(self): self.post_process_paths_to_convert = dict_() diff --git a/deepdiff/model.py b/deepdiff/model.py index f5e5a4d3..148479c6 100644 --- a/deepdiff/model.py +++ b/deepdiff/model.py @@ -2,7 +2,7 @@ from collections.abc import Mapping from copy import copy from deepdiff.helper import ( - RemapDict, strings, short_repr, notpresent, get_type, numpy_numbers, np, literal_eval_extended, + RemapDict, strings, notpresent, get_type, numpy_numbers, np, literal_eval_extended, dict_, SetOrdered) from deepdiff.path import stringify_element @@ -580,12 +580,14 @@ def __init__(self, def __repr__(self): if self.verbose_level: + from deepdiff.summarize import summarize + if self.additional: - additional_repr = short_repr(self.additional, max_length=35) + additional_repr = summarize(self.additional, max_length=35) result = "<{} {}>".format(self.path(), additional_repr) else: - t1_repr = short_repr(self.t1) - t2_repr = short_repr(self.t2) + t1_repr = summarize(self.t1, max_length=35) + t2_repr = summarize(self.t2, max_length=35) result = "<{} t1:{}, t2:{}>".format(self.path(), t1_repr, t2_repr) else: result = "<{}>".format(self.path()) @@ -857,10 +859,12 @@ def __init__(self, parent, child, param=None): self.param = param def __repr__(self): + from deepdiff.summarize import summarize + name = "<{} parent:{}, child:{}, param:{}>" - parent = short_repr(self.parent) - child = short_repr(self.child) - param = short_repr(self.param) + parent = summarize(self.parent, max_length=35) + child = summarize(self.child, max_length=35) + param = summarize(self.param, max_length=15) return name.format(self.__class__.__name__, parent, child, param) def get_param_repr(self, force=None): diff --git a/deepdiff/serialization.py b/deepdiff/serialization.py index aa563990..6bbd2a04 100644 --- a/deepdiff/serialization.py +++ b/deepdiff/serialization.py @@ -28,6 +28,7 @@ SetOrdered, pydantic_base_model_type, PydanticBaseModel, + NotPresent, ) from deepdiff.model import DeltaResult @@ -601,6 +602,7 @@ def _serialize_tuple(value): np_ndarray: lambda x: x.tolist(), tuple: _serialize_tuple, Mapping: dict, + NotPresent: str, } if PydanticBaseModel is not pydantic_base_model_type: diff --git a/tests/test_cache.py b/tests/test_cache.py index b4e22124..7523e2d0 100644 --- a/tests/test_cache.py +++ b/tests/test_cache.py @@ -56,6 +56,7 @@ def test_cache_deeply_nested_a2(self, nested_a_t1, nested_a_t2, nested_a_result) # 'MAX DIFF LIMIT REACHED': False # } # assert expected_stats == stats + import pytest; pytest.set_trace() assert nested_a_result == diff diff_of_diff = DeepDiff(nested_a_result, diff.to_dict(), ignore_order=False) assert not diff_of_diff diff --git a/tests/test_delta.py b/tests/test_delta.py index fe328b6c..dc741592 100644 --- a/tests/test_delta.py +++ b/tests/test_delta.py @@ -170,8 +170,9 @@ def test_delta_repr(self): diff = DeepDiff(t1, t2) delta = Delta(diff) options = { - "", - ""} + '', + '', + } assert repr(delta) in options def test_get_elem_and_compare_to_old_value(self): diff --git a/tests/test_hash.py b/tests/test_hash.py index f5cdc564..43900c0b 100755 --- a/tests/test_hash.py +++ b/tests/test_hash.py @@ -56,7 +56,7 @@ def test_get_hash_by_obj_is_the_same_as_by_obj_get_id(self): def test_deephash_repr(self): obj = "a" result = DeepHash(obj) - assert "{'a': '980410da9522db17c3ab8743541f192a5ab27772a6154dbc7795ee909e653a5c'}" == repr(result) + assert '{"a":"980410da9522db17c3ab8743541f192a5ab27772a6154dbc7795ee909e653a5c"}' == repr(result) def test_deephash_values(self): obj = "a" diff --git a/tests/test_model.py b/tests/test_model.py index 12130e0c..3e31fdf5 100644 --- a/tests/test_model.py +++ b/tests/test_model.py @@ -81,7 +81,7 @@ def test_a(self): class TestDiffLevel: def setup_class(cls): # Test data - cls.custom1 = CustomClass(a='very long text here', b=37) + cls.custom1 = CustomClass(a='very long text here, much longer than you can ever imagine. The longest text here.', b=37) cls.custom2 = CustomClass(a=313, b=37) cls.t1 = {42: 'answer', 'vegan': 'for life', 1337: cls.custom1} cls.t2 = { @@ -257,7 +257,7 @@ def test_repr_long(self): item_repr = repr(self.lowest) finally: self.lowest.verbose_level = level - assert item_repr == "" + assert item_repr == '' def test_repr_very_long(self): level = self.lowest.verbose_level @@ -266,7 +266,7 @@ def test_repr_very_long(self): item_repr = repr(self.lowest) finally: self.lowest.verbose_level = level - assert item_repr == "" + assert item_repr == '' def test_repetition_attribute_and_repr(self): t1 = [1, 1] @@ -275,7 +275,7 @@ def test_repetition_attribute_and_repr(self): node = DiffLevel(t1, t2) node.additional['repetition'] = some_repetition assert node.repetition == some_repetition - assert repr(node) == "" + assert repr(node) == '' class TestChildRelationship: @@ -286,14 +286,14 @@ def test_create_invalid_klass(self): def test_rel_repr_short(self): rel = WorkingChildRelationship(parent="that parent", child="this child", param="some param") rel_repr = repr(rel) - expected = "" + expected = '' assert rel_repr == expected def test_rel_repr_long(self): rel = WorkingChildRelationship( - parent="that parent who has a long path", + parent="that parent who has a long path, still going on. Yes, a very long path indeed.", child="this child", param="some param") rel_repr = repr(rel) - expected = "" + expected = '' assert rel_repr == expected From 142c26028c0918f7356b136400c72381cb4c2e5c Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 11:29:29 -0800 Subject: [PATCH 3/8] adding summarization --- deepdiff/summarize.py | 153 + tests/fixtures/compounds.json | 14784 ++++++++++++++++++++++++++++++++ tests/test_summarize.py | 137 + 3 files changed, 15074 insertions(+) create mode 100644 deepdiff/summarize.py create mode 100644 tests/fixtures/compounds.json create mode 100644 tests/test_summarize.py diff --git a/deepdiff/summarize.py b/deepdiff/summarize.py new file mode 100644 index 00000000..af6e4b1e --- /dev/null +++ b/deepdiff/summarize.py @@ -0,0 +1,153 @@ +from deepdiff.serialization import json_dumps + + +def _truncate(s, max_len): + """ + Truncate string s to max_len characters. + If possible, keep the first (max_len-5) characters, then '...' then the last 2 characters. + """ + if len(s) <= max_len: + return s + if max_len <= 5: + return s[:max_len] + return s[:max_len - 5] + "..." + s[-2:] + +class JSONNode: + def __init__(self, data, key=None): + """ + Build a tree node for the JSON data. + If this node is a child of a dict, key is its key name. + """ + self.key = key + if isinstance(data, dict): + self.type = "dict" + self.children = [] + # Preserve insertion order: list of (key, child) pairs. + for k, v in data.items(): + child = JSONNode(v, key=k) + self.children.append((k, child)) + elif isinstance(data, list): + self.type = "list" + self.children = [JSONNode(item) for item in data] + else: + self.type = "primitive" + # For primitives, use json.dumps to get a compact representation. + try: + self.value = json_dumps(data) + except Exception: + self.value = str(data) + + def full_repr(self): + """Return the full minimized JSON representation (without trimming) for this node.""" + if self.type == "primitive": + return self.value + elif self.type == "dict": + parts = [] + for k, child in self.children: + parts.append(f'"{k}":{child.full_repr()}') + return "{" + ",".join(parts) + "}" + elif self.type == "list": + parts = [child.full_repr() for child in self.children] + return "[" + ",".join(parts) + "]" + + def full_weight(self): + """Return the character count of the full representation.""" + return len(self.full_repr()) + + def summarize(self, budget): + """ + Return a summary string for this node that fits within budget characters. + The algorithm may drop whole sub-branches (for dicts) or truncate long primitives. + """ + if self.type == "primitive": + rep = self.value + if len(rep) <= budget: + return rep + else: + return _truncate(rep, budget) + elif self.type == "dict": + return self._summarize_dict(budget) + elif self.type == "list": + return self._summarize_list(budget) + + def _summarize_dict(self, budget): + # If the dict is empty, return {} + if not self.children: + return "{}" + # Build a list of pairs with fixed parts: + # Each pair: key_repr is f'"{key}":' + # Also store the full (untrimmed) child representation. + pairs = [] + for k, child in self.children: + key_repr = f'"{k}":' + child_full = child.full_repr() + pair_full = key_repr + child_full + pairs.append({ + "key": k, + "child": child, + "key_repr": key_repr, + "child_full": child_full, + "pair_full": pair_full, + "full_length": len(pair_full) + }) + n = len(pairs) + fixed_overhead = 2 + (n - 1) # braces plus commas between pairs + total_full = sum(p["full_length"] for p in pairs) + fixed_overhead + # If full representation fits, return it. + if total_full <= budget: + parts = [p["key_repr"] + p["child_full"] for p in pairs] + return "{" + ",".join(parts) + "}" + + # Otherwise, try dropping some pairs. + kept = pairs.copy() + # Heuristic: while the representation is too long, drop the pair whose child_full is longest. + while kept: + # Sort kept pairs in original insertion order. + kept_sorted = sorted(kept, key=lambda p: self.children.index((p["key"], p["child"]))) + current_n = len(kept_sorted) + fixed = sum(len(p["key_repr"]) for p in kept_sorted) + (current_n - 1) + 2 + remaining_budget = budget - fixed + if remaining_budget < 0: + # Not enough even for fixed costs; drop one pair. + kept.remove(max(kept, key=lambda p: len(p["child_full"]))) + continue + total_child_full = sum(len(p["child_full"]) for p in kept_sorted) + # Allocate available budget for each child's summary proportionally. + child_summaries = [] + for p in kept_sorted: + ideal = int(remaining_budget * (len(p["child_full"]) / total_child_full)) if total_child_full > 0 else 0 + summary_child = p["child"].summarize(ideal) + child_summaries.append(summary_child) + candidate = "{" + ",".join([p["key_repr"] + s for p, s in zip(kept_sorted, child_summaries)]) + "}" + if len(candidate) <= budget: + return candidate + # If still too long, drop the pair with the largest child_full length. + to_drop = max(kept, key=lambda p: len(p["child_full"])) + kept.remove(to_drop) + # If nothing remains, return a truncated empty object. + return _truncate("{}", budget) + + def _summarize_list(self, budget): + # If the list is empty, return [] + if not self.children: + return "[]" + full_repr = self.full_repr() + if len(full_repr) <= budget: + return full_repr + # For lists, show only the first element and an omission indicator if more elements exist. + suffix = ",..." if len(self.children) > 1 else "" + inner_budget = budget - 2 - len(suffix) # subtract brackets and suffix + first_summary = self.children[0].summarize(inner_budget) + candidate = "[" + first_summary + suffix + "]" + if len(candidate) <= budget: + return candidate + return _truncate(candidate, budget) + + +def summarize(data, max_length=200): + """ + Build a tree for the given JSON-compatible data and return its summary, + ensuring the final string is no longer than self.max_length. + """ + root = JSONNode(data) + return root.summarize(max_length).replace("{,", "{") diff --git a/tests/fixtures/compounds.json b/tests/fixtures/compounds.json new file mode 100644 index 00000000..0a1a4c20 --- /dev/null +++ b/tests/fixtures/compounds.json @@ -0,0 +1,14784 @@ +{ + "RecordType": "CID", + "RecordNumber": 2719, + "RecordTitle": "Chloroquine", + "Section": + [ + { + "TOCHeading": "Structures", + "Description": "Structure depictions and information for 2D, 3D, and crystal related", + "Section": + [ + { + "TOCHeading": "2D Structure", + "Description": "A two-dimensional representation of the compound", + "DisplayControls": + { + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 69, + "Value": + { + "Boolean": + [ + true + ] + } + } + ] + }, + { + "TOCHeading": "3D Conformer", + "Description": "A three-dimensional representation of the compound. The 3D structure is not experimentally determined, but computed by PubChem. More detailed information on this conformer model is described in the PubChem3D thematic series published in the Journal of Cheminformatics.", + "DisplayControls": + { + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 69, + "Description": "Chloroquine", + "Value": + { + "Number": + [ + 2719 + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Chemical Safety", + "Description": "Launch the Laboratory Chemical Safety Summary datasheet, and link to the safety and hazard section", + "DisplayControls": + { + "HideThisSection": true, + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 69, + "Name": "Chemical Safety", + "Value": + { + "StringWithMarkup": + [ + { + "String": " ", + "Markup": + [ + { + "Start": 0, + "Length": 1, + "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg", + "Type": "Icon", + "Extra": "Irritant" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Names and Identifiers", + "Description": "Record identifiers, synonyms, chemical names, descriptors, etc.", + "Section": + [ + { + "TOCHeading": "Record Description", + "Description": "Summary Information", + "DisplayControls": + { + "HideThisSection": true, + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 3, + "Name": "Record Description", + "Description": "Ontology Summary", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine is an aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. It has a role as an antimalarial, an antirheumatic drug, a dermatologic drug, an autophagy inhibitor and an anticoronaviral agent. It is an aminoquinoline, a secondary amino compound, a tertiary amino compound and an organochlorine compound. It is a conjugate base of a chloroquine(2+).", + "Markup": + [ + { + "Start": 0, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 18, + "Length": 14, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-11379" + }, + { + "Start": 41, + "Length": 9, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/quinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-7047" + }, + { + "Start": 152, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Chlorine", + "Type": "PubChem Internal Link", + "Extra": "Element-Chlorine" + }, + { + "Start": 442, + "Length": 14, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-11379" + }, + { + "Start": 470, + "Length": 5, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/amino", + "Type": "PubChem Internal Link", + "Extra": "CID-136037442" + }, + { + "Start": 497, + "Length": 5, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/amino", + "Type": "PubChem Internal Link", + "Extra": "CID-136037442" + }, + { + "Start": 572, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 10, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine is an aminoquinolone derivative first developed in the 1940s for the treatment of malaria. It was the drug of choice to treat malaria until the development of newer antimalarials such as [pyrimethamine], [artemisinin], and [mefloquine]. Chloroquine and its derivative [hydroxychloroquine] have since been repurposed for the treatment of a number of other conditions including HIV, systemic lupus erythematosus, and rheumatoid arthritis. **The FDA emergency use authorization for [hydroxychloroquine] and chloroquine in the treatment of COVID-19 was revoked on 15 June 2020.** Chloroquine was granted FDA Approval on 31 October 1949.", + "Markup": + [ + { + "Start": 0, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 18, + "Length": 14, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aminoquinolone", + "Type": "PubChem Internal Link", + "Extra": "CID-170348" + }, + { + "Start": 200, + "Length": 13, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/pyrimethamine", + "Type": "PubChem Internal Link", + "Extra": "CID-4993" + }, + { + "Start": 217, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/artemisinin", + "Type": "PubChem Internal Link", + "Extra": "CID-2240" + }, + { + "Start": 236, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/mefloquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4046" + }, + { + "Start": 249, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 281, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxychloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-3652" + }, + { + "Start": 493, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxychloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-3652" + }, + { + "Start": 517, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 590, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 22, + "Description": "LiverTox Summary", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine is an aminoquinoline used for the prevention and therapy of malaria. It is also effective in extraintestinal amebiasis and as an antiinflammatory agent for therapy of rheumatoid arthritis and lupus erythematosus. Chloroquine is not associated with serum enzyme elevations and is an extremely rare cause of clinically apparent acute liver injury.", + "Markup": + [ + { + "Start": 0, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 18, + "Length": 14, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-11379" + }, + { + "Start": 225, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 23, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine is a natural product found in Cinchona calisaya with data available.", + "Markup": + [ + { + "Start": 42, + "Length": 17, + "URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/153742#section=Natural-Products" + }, + { + "Start": 0, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 68, + "Value": + { + "StringWithMarkup": + [ + { + "String": "The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses." + } + ] + } + } + ] + }, + { + "TOCHeading": "Computed Descriptors", + "Description": "Descriptors generated from chemical structure input", + "Section": + [ + { + "TOCHeading": "IUPAC Name", + "Description": "Chemical name computed from chemical structure that uses International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards.", + "URL": "http://old.iupac.org/publications/books/seriestitles/nomenclature.html", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine", + "Markup": + [ + { + "Start": 2, + "Length": 1, + "Type": "Italics" + }, + { + "Start": 30, + "Length": 1, + "Type": "Italics" + }, + { + "Start": 34, + "Length": 1, + "Type": "Italics" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "InChI", + "Description": "International Chemical Identifier (InChI) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard.", + "URL": "http://www.iupac.org/home/publications/e-resources/inchi.html", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by InChI 1.0.6 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)" + } + ] + } + } + ] + }, + { + "TOCHeading": "InChI Key", + "Description": "International Chemical Identifier hash (InChIKey) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard.", + "URL": "http://www.iupac.org/home/publications/e-resources/inchi.html", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by InChI 1.0.6 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "WHTVZRBIWZFKQO-UHFFFAOYSA-N" + } + ] + } + } + ] + }, + { + "TOCHeading": "Canonical SMILES", + "Description": "Simplified Molecular-Input Line-Entry System (SMILES) computed from chemical structure devoid of isotopic and stereochemical information.", + "URL": "http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by OEChem 2.3.0 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl" + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Molecular Formula", + "Description": "A chemical formula is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols and numbers. PubChem uses the Hill system whereby the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms second, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically. Sources other than PubChem may include a variant of the formula that is more structural or natural to chemists, for example \"H2SO4\" for sulfuric acid, rather than the Hill version \"H2O4S.\"", + "DisplayControls": + { + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by PubChem 2.1 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "C18H26ClN3" + } + ] + } + } + ] + }, + { + "TOCHeading": "Other Identifiers", + "Description": "Important identifiers assigned to this chemical substance by authoritative organizations", + "Section": + [ + { + "TOCHeading": "CAS", + "Description": "A proprietary registry number assigned by the Chemical Abstracts Service (CAS) division of the American Chemical Society (ACS) often used to help describe chemical ingredients.", + "URL": "http://en.wikipedia.org/wiki/CAS_Registry_Number", + "Information": + [ + { + "ReferenceNumber": 1, + "URL": "https://commonchemistry.cas.org/detail?cas_rn=54-05-7", + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 4, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 10, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 11, + "Name": "CAS", + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 12, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 15, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 18, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + }, + { + "ReferenceNumber": 19, + "Value": + { + "StringWithMarkup": + [ + { + "String": "54-05-7" + } + ] + } + } + ] + }, + { + "TOCHeading": "Deprecated CAS", + "Description": "The CAS registry number(s) in this section refer(s) to old, deprecated, previously assigned, deleted, etc. CAS number(s) which are no longer used, but users can still see in references, sometimes.", + "Information": + [ + { + "ReferenceNumber": 4, + "Value": + { + "StringWithMarkup": + [ + { + "String": "56598-66-4" + } + ] + } + } + ] + }, + { + "TOCHeading": "European Community (EC) Number", + "Description": "A seven-digit regulatory identifier currently assigned by the European Chemicals Agency (ECHA) known as a European Community (EC) number. It is sometimes referred to as an EINECS, ELINCS, or NLP number, which are subsets of an EC number.", + "URL": "http://en.wikipedia.org/wiki/European_Community_number", + "Information": + [ + { + "ReferenceNumber": 15, + "URL": "https://echa.europa.eu/substance-information/-/substanceinfo/100.000.175", + "Value": + { + "StringWithMarkup": + [ + { + "String": "200-191-2" + } + ] + } + } + ] + }, + { + "TOCHeading": "NSC Number", + "Description": "The NSC number is a numeric identifier for substances submitted to the National Cancer Institute (NCI) for testing and evaluation. It is a registration number for the Developmental Therapeutics Program (DTP) repository. NSC stands for National Service Center.", + "Information": + [ + { + "ReferenceNumber": 11, + "Name": "NSC Number", + "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=187208", + "Value": + { + "StringWithMarkup": + [ + { + "String": "187208" + } + ] + } + } + ] + }, + { + "TOCHeading": "DSSTox Substance ID", + "Description": "Substance identifier at the Distributed Structure-Searchable Toxicity (DSSTox) Database.", + "URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database/", + "Information": + [ + { + "ReferenceNumber": 12, + "URL": "https://comptox.epa.gov/dashboard/DTXSID2040446", + "Value": + { + "StringWithMarkup": + [ + { + "String": "DTXSID2040446" + } + ] + } + } + ] + }, + { + "TOCHeading": "Wikipedia", + "Description": "Links to Wikipedia for this record.", + "Information": + [ + { + "ReferenceNumber": 66, + "URL": "https://en.wikipedia.org/wiki/Chloroquine", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine" + } + ] + } + } + ] + }, + { + "TOCHeading": "Wikidata", + "Description": "Wikidata entity identifier for the given compound.", + "URL": "https://www.wikidata.org/w/index.php?title=Special:WhatLinksHere/Property:P662", + "Information": + [ + { + "ReferenceNumber": 65, + "URL": "https://www.wikidata.org/wiki/Q422438", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Q422438" + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Synonyms", + "Description": "Alternative names for this PubChem Compound record. A compound can have many different names. For example, acetone (CH3C(=O)CH3) is also known as propanone, propan-2-one, or dimethyl ketone. The brand name of a product is commonly used to indicate the primary chemical ingredient(s) in the product (e.g., Tylenol, a common pain killer, is often used for acetaminophen, its active ingredient). Another example of common synonyms is record identifiers used in different data collections, such as Chemical Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient Identifiers), and many others. All these various names and identifiers that designate this compound are organized under the Synonyms section.", + "Section": + [ + { + "TOCHeading": "MeSH Entry Terms", + "Description": "Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names).", + "DisplayControls": + { + "ListType": "Columns" + }, + "Information": + [ + { + "ReferenceNumber": 68, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Aralen" + }, + { + "String": "Arechine" + }, + { + "String": "Arequin" + }, + { + "String": "Chingamin" + }, + { + "String": "Chlorochin" + }, + { + "String": "Chloroquine" + }, + { + "String": "Chloroquine Sulfate" + }, + { + "String": "Chloroquine Sulphate" + }, + { + "String": "Khingamin" + }, + { + "String": "Nivaquine" + }, + { + "String": "Sulfate, Chloroquine" + }, + { + "String": "Sulphate, Chloroquine" + } + ] + } + } + ] + }, + { + "TOCHeading": "Depositor-Supplied Synonyms", + "Description": "Chemical names provided by individual data contributors. Synonyms of Substances corresponding to a PubChem Compound record are combined. Some contributed names may be considered erroneous and filtered out. The link on each synonym shows which depositors provided that particular synonym for this structure.", + "DisplayControls": + { + "ListType": "Columns", + "MoveToTop": true + }, + "Information": + [ + { + "ReferenceNumber": 69, + "Value": + { + "StringWithMarkup": + [ + { + "String": "chloroquine" + }, + { + "String": "54-05-7" + }, + { + "String": "Aralen" + }, + { + "String": "Chlorochin" + }, + { + "String": "Chloraquine" + }, + { + "String": "Artrichin" + }, + { + "String": "Chloroquinium" + }, + { + "String": "Chloroquina" + }, + { + "String": "Reumachlor" + }, + { + "String": "Capquin" + }, + { + "String": "Chemochin" + }, + { + "String": "Chlorquin" + }, + { + "String": "Clorochina" + }, + { + "String": "Malaquin" + }, + { + "String": "Arthrochin" + }, + { + "String": "Bemasulph" + }, + { + "String": "Benaquin" + }, + { + "String": "Bipiquin" + }, + { + "String": "Chingamin" + }, + { + "String": "Cidanchin" + }, + { + "String": "Cocartrit" + }, + { + "String": "Dichinalex" + }, + { + "String": "Gontochin" + }, + { + "String": "Heliopar" + }, + { + "String": "Iroquine" + }, + { + "String": "Klorokin" + }, + { + "String": "Lapaquin" + }, + { + "String": "Mesylith" + }, + { + "String": "Pfizerquine" + }, + { + "String": "Quinachlor" + }, + { + "String": "Quinercyl" + }, + { + "String": "Quinilon" + }, + { + "String": "Quinoscan" + }, + { + "String": "Sanoquin" + }, + { + "String": "Silbesan" + }, + { + "String": "Solprina" + }, + { + "String": "Sopaquin" + }, + { + "String": "Tresochin" + }, + { + "String": "Amokin" + }, + { + "String": "Bemaco" + }, + { + "String": "Elestol" + }, + { + "String": "Imagon" + }, + { + "String": "Malaren" + }, + { + "String": "Malarex" + }, + { + "String": "Neochin" + }, + { + "String": "Roquine" + }, + { + "String": "Siragan" + }, + { + "String": "Trochin" + }, + { + "String": "Nivaquine B" + }, + { + "String": "Bemaphate" + }, + { + "String": "Resoquine" + }, + { + "String": "Nivaquine" + }, + { + "String": "Chlorochine" + }, + { 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"7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline" + }, + { + "String": "CHEBI:3638" + }, + { + "String": "N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine" + }, + { + "String": "{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine" + }, + { + "String": "Gontochin phosphate" + }, + { + "String": "CHEMBL76" + }, + { + "String": "SN 6718" + }, + { + "String": "Ipsen 225" + }, + { + "String": "Chlorochinum" + }, + { + "String": "4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine" + }, + { + "String": "N(sup 4)-(7-Chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-1,4-pentanediamine" + }, + { + "String": "MFCD00024009" + }, + { + "String": "NSC187208" + }, + { + "String": "NSC-187208" + }, + { + "String": "SN 7618" + }, + { + "String": "Chloroquine (VAN)" + }, + { + "String": "Clorochina [DCIT]" + }, + { + "String": "7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline" + }, + { + "String": "Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-" + }, + { + "String": "3377 RP" + }, + { + "String": "CQ" + }, + { + "String": "SN-7618" + }, + { + "String": "1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-" + }, + { + "String": "ST 21 (pharmaceutical)" + }, + { + "String": "Chloroquinum [INN-Latin]" + }, + { + "String": "Cloroquina [INN-Spanish]" + }, + { + "String": "3377 RP opalate" + }, + { + "String": "Chloroquin" + }, + { + "String": "Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-" + }, + { + "String": "N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine" + }, + { + "String": "ST 21" + }, + { + "String": "(+-)-Chloroquine" + }, + { + "String": "NSC14050" + }, + { + "String": "CCRIS 3439" + }, + { + "String": "HSDB 3029" + }, + { + "String": "Chloroquine (USP/INN)" + }, + { + "String": "EINECS 200-191-2" + }, + { + "String": "Malaquin (*Diphosphate*)" + }, + { + "String": "NSC 187208" + }, + { + "String": "BRN 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{ + "String": "WHTVZRBIWZFKQO-UHFFFAOYSA-N" + }, + { + "String": "886U3H6UFF" + }, + { + "String": "HYDROXYCHLOROQUINE SULFATE" + }, + { + "String": "CTK1H1520" + }, + { + "String": "C18-H26-Cl-N3" + }, + { + "String": "CID2719" + }, + { + "String": "Ro 01-6014/N2" + }, + { + "String": "SBB072644" + }, + { + "String": "ACN-029973" + }, + { + "String": "KS-00000F97" + }, + { + "String": "AK116457" + }, + { + "String": "BC208405" + }, + { + "String": "SC-48578" + }, + { + "String": "N(C(C)CCCN(CC)CC)c1ccnc2cc(Cl)ccc12" + }, + { + "String": "LS-141726" + }, + { + "String": "ST2401962" + }, + { + "String": "4CH-019706" + }, + { + "String": "NS00001540" + }, + { + "String": "ST45028748" + }, + { + "String": "D002738" + }, + { + "String": "{4-[(7-chloro(4-quinolyl))amino]pentyl}diethylamine" + }, + { + "String": "7-chloro-4-(4-diethylamino-1-methylbutylamino)quinoline" + }, + { + "String": "1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (+)-" + }, + { + "String": "58175-86-3" 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That is, where rotation around the bond axis changes the overall shape of the molecule, and generates conformers which can be distinguished by standard fast spectroscopic methods.", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)" + ], + "Value": + { + "Number": + [ + 8 + ] + } + } + ] + }, + { + "TOCHeading": "Exact Mass", + "Description": "The exact mass of an isotopic species is obtained by summing the masses of the individual isotopes of the molecule.", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by PubChem 2.1 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "319.1815255" + } + ], + "Unit": "g/mol" + } + } + ] + }, + { + "TOCHeading": "Monoisotopic Mass", + "Description": "The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element instead of the isotopic average mass.", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by PubChem 2.1 (PubChem release 2021.05.07)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "319.1815255" + } + ], + "Unit": "g/mol" + } + } + ] + }, + { + "TOCHeading": "Topological Polar Surface Area", + "Description": "The topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms in a molecule.", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)" + ], + "Value": + { + "Number": + [ + 28.2 + ], + "Unit": "Ų" + } + } + ] + }, + { + "TOCHeading": "Heavy Atom Count", + "Description": "A heavy atom is defined as any atom except hydrogen in a chemical structure.", + "Information": + [ + { + "ReferenceNumber": 69, + "Reference": + [ + "Computed by PubChem" + ], + "Value": + { + "Number": + [ + 22 + ] + } + } + ] + }, + { + "TOCHeading": "Formal Charge", + "Description": "Formal charge is the difference between the number of valence electrons of each atom and the number of electrons the atom is associated with. 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This includes pKa (the negative logarithm of the acid dissociation constant) and pKb (the negative logarithm of the base dissociation constant).", + "Information": + [ + { + "ReferenceNumber": 10, + "Name": "pKa", + "Reference": + [ + "SANGSTER (1994)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "10.1" + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). 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In acute attacks of malaria, chloroquine interrupts erythrocytic schizogony of the parasite. its ability to concentrate in parasitized erythrocytes may account for its selective toxicity against the erythrocytic stages of plasmodial infection.", + "Markup": + [ + { + "Start": 72, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 125, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 372, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 474, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Thomson.Micromedex. 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The United States Pharmacopeia, USP 29/The National Formulary, NF 24; Rockville, MD: U.S. Pharmacopeial Convention, Inc., p480 (2006)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Analyte: chloroquine; matrix: chemical identification; procedure: ultraviolet absorption spectrophotometry with comparison to standards", + "Markup": + [ + { + "Start": 9, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "U.S. Pharmacopeia. The United States Pharmacopeia, USP 29/The National Formulary, NF 24; Rockville, MD: U.S. Pharmacopeial Convention, Inc., p480 (2006)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Analyte: chloroquine; matrix: chemical purity; procedure: dissolution in glacial acetic acid; addition of crystal violet indicator; titration with perchloric acid", + "Markup": + [ + { + "Start": 9, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 81, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid", + "Type": "PubChem Internal Link", + "Extra": "CID-176" + }, + { + "Start": 106, + "Length": 14, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/crystal%20violet", + "Type": "PubChem Internal Link", + "Extra": "CID-11057" + }, + { + "Start": 147, + "Length": 15, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/perchloric%20acid", + "Type": "PubChem Internal Link", + "Extra": "CID-24247" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Analytic Laboratory Methods (Complete) data for CHLOROQUINE (20 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 98, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Analytic-Laboratory-Methods-(Complete)" + }, + { + "Start": 57, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Clinical Laboratory Methods", + "Description": "Clinical Laboratory Methods for the sample analysis", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Sunshine, Irving (ed.) Methodology for Analytical Toxicology. Cleveland: CRC Press, Inc., 1975., p. 83" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Determination of chloroquine in blood, plasma, red cells, or urine specimen using spectrophotometer with UV absorption spectrum at 0.0 to 0.1 absorbance range. Recovery is about 90 + or - 2%.", + "Markup": + [ + { + "Start": 17, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Chaulet JF et al; J Chromatogr Biomed Appl 613 (2): 303-10 (1993)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "A high-performance liquid chromatography method with fluorescence detection is described for the simultaneous measurement of quinine, chloroquine and mono- and bidesethylchloroquine in human plasma, erythrocytes and urine ... The limit of detection was ca 5 ng/mL of chloroquine and ca 23 ng/mL for quinine ...", + "Markup": + [ + { + "Start": 125, + "Length": 7, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/quinine", + "Type": "PubChem Internal Link", + "Extra": "CID-3034034" + }, + { + "Start": 134, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 267, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 299, + "Length": 7, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/quinine", + "Type": "PubChem Internal Link", + "Extra": "CID-3034034" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:2313570", + "Escande C et al; J Pharm Sci 79 (1): 23-7 (1990)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Two new methods for the simultaneous detn of chloroquine and its two main metabolites (monodesethylchloroquine and bisdesethylchloroquine) in biol samples, RIA and ELISA, are described ... Sensitivity limits are, respectively, 0.70 nM (3 pg of chloroquine sulfate measured in 10 uLof plasma sample) for RIA, and 10 nM (22 pg of chloroquine sulfate measured in 5 uL of plasma sample) for ELISA. The interassay coefficients of variation are, respectively, <10 and <16% for RIA and ELISA in the range 14 to 410 nM (6 to 180 ng/mL) ...", + "Markup": + [ + { + "Start": 45, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 87, + "Length": 23, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monodesethylchloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-38989112" + }, + { + "Start": 115, + "Length": 22, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/bisdesethylchloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-122672" + }, + { + "Start": 244, + "Length": 19, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine%20sulfate", + "Type": "PubChem Internal Link", + "Extra": "CID-91441" + }, + { + "Start": 328, + "Length": 19, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine%20sulfate", + "Type": "PubChem Internal Link", + "Extra": "CID-91441" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Tracqui A et al; J Forensic Sci 40: 254-262 (1995). As cited in: Lunn G, Schmuff N; HPLC Methods for Pharmaceutical Analysis. New York, NY: John Wiley & Sons, 1997., p.459" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Analyte: chloroquine; matrix: blood (whole, plasma); procedure: high-performance liquid chromatography with ultraviolet detection at 229 nm; limit of detection: <120 ng/mL", + "Markup": + [ + { + "Start": 9, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Clinical Laboratory Methods (Complete) data for CHLOROQUINE (17 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 98, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Clinical-Laboratory-Methods-(Complete)" + }, + { + "Start": 57, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Safety and Hazards", + "Description": "Safety and hazards information, properties, management techniques, reactivities and incompatibilities, first aid treatments, and more. For toxicity and related information, please visit Toxicity section.", + "Section": + [ + { + "TOCHeading": "Hazards Identification", + "Description": "Hazards Identification includes all hazards regarding the chemical; required label elements", + "Section": + [ + { + "TOCHeading": "GHS Classification", + "Description": "GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is a United Nations system to identify hazardous chemicals and to inform users about these hazards. GHS has been adopted by many countries around the world and is now also used as the basis for international and national transport regulations for dangerous goods. The GHS hazard statements, class categories, pictograms, signal words, and the precautionary statements can be found on the PubChem GHS page.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/", + "DisplayControls": + { + "CreateTable": + { + "FromInformationIn": "ThisSection", + "NumberOfColumns": 2, + "ColumnContents": + [ + "Name", + "Value" + ] + }, + "ShowAtMost": 1 + }, + "Information": + [ + { + "ReferenceNumber": 14, + "Name": "Pictogram(s)", + "Value": + { + "StringWithMarkup": + [ + { + "String": " ", + "Markup": + [ + { + "Start": 0, + "Length": 1, + "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg", + "Type": "Icon", + "Extra": "Irritant" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 14, + "Name": "Signal", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Warning", + "Markup": + [ + { + "Start": 0, + "Length": 7, + "Type": "Color", + "Extra": "GHSWarning" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 14, + "Name": "GHS Hazard Statements", + "Value": + { + "StringWithMarkup": + [ + { + "String": "H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]", + "Markup": + [ + { + "Start": 35, + "Length": 7, + "Type": "Color", + "Extra": "GHSWarning" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 14, + "Name": "Precautionary Statement Codes", + "Value": + { + "StringWithMarkup": + [ + { + "String": "P264, P270, P301+P317, P330, and P501" + }, + { + "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)", + "Markup": + [ + { + "Start": 64, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 14, + "Name": "ECHA C&L Notifications Summary", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.", + "Markup": + [ + { + "Start": 0, + "Length": 103, + "Type": "Italics" + } + ] + }, + { + "String": "Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.", + "Markup": + [ + { + "Start": 0, + "Length": 281, + "Type": "Italics" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Hazard Classes and Categories", + "Description": "The Hazard Classes and Categories are aligned with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) hazard statement codes. More info can be found at the PubChem GHS summary page. The percentage data in the parenthesis from ECHA indicates that the hazard classes and categories information are consolidated from multiple companies, see the detailed explanation from the above GHS classification section.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/", + "DisplayControls": + { + "ShowAtMost": 2 + }, + "Information": + [ + { + "ReferenceNumber": 14, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Acute Tox. 4 (100%)" + } + ] + } + } + ] + }, + { + "TOCHeading": "Skin, Eye, and Respiratory Irritations", + "Description": "Symptoms of Skin, Eye, and Respiratory Irritations cause by chemical hazards", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:2253570", + "Obikili AG; East Afr Med J 67 (9): 614-21 (1990)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Eleven cases of macular degeneration occurring between the ages of 22 yr and 40 yr are presented. All the patients gave positive history of chloroquine intake and outdoor activity. In 4 of the 11 cases, pterygium was an associated ocular finding. The female to male ratio was 3 to 1. The macular lesions were bilateral and symmetrical in all the cases. It is postulated that the effect of chronic chloroquine ingestion exacerbated by chronic light toxicity might be responsible for this type of macular degeneration presenting in adults.", + "Markup": + [ + { + "Start": 140, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 397, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Accidental Release Measures", + "Description": "Accidental release measures lists emergency procedures; protective equipment; proper methods of containment and cleanup.", + "Section": + [ + { + "TOCHeading": "Disposal Methods", + "Description": "Disposal Methods for this chemical", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices." + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Regulatory Information", + "Description": "Related Regulatory Information", + "Section": + [ + { + "TOCHeading": "FDA Requirements", + "Description": "FDA Requirements for the chemical's safety and hard information", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "DHHS/FDA; Electronic Orange Book-Approved Drug Products with Therapeutic Equivalence Evaluations. Available from, as of July 26, 2006: https://www.fda.gov/cder/ob/" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl chloroquine phosphate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Chloroquine phosphate/", + "Markup": + [ + { + "Start": 137, + "Length": 21, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine%20phosphate", + "Type": "PubChem Internal Link", + "Extra": "CID-64927" + }, + { + "Start": 283, + "Length": 21, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine%20phosphate", + "Type": "PubChem Internal Link", + "Extra": "CID-64927" + } + ] + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Other Safety Information", + "Description": "Other Safety Information includes the date of preparation or last revision", + "Section": + [ + { + "TOCHeading": "Special Reports", + "Description": "Special Reports for the given chemical", + "Information": + [ + { + "ReferenceNumber": 18, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Fitch CD; Ferriprotoporphyrin IX: role in chloroquine susceptibility and resistance in malaria.; Prog Clin Biol Res 313: 45-52 (1989). A review of all available evidence supports the hypothesis that ferriprotoporphyrin is the receptor for chloroquine and mediator of its antimalarial activity.", + "Markup": + [ + { + "Start": 10, + "Length": 22, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Ferriprotoporphyrin%20IX", + "Type": "PubChem Internal Link", + "Extra": "multiple-CIDs" + }, + { + "Start": 42, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 199, + "Length": 19, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ferriprotoporphyrin", + "Type": "PubChem Internal Link", + "Extra": "CID-455658" + }, + { + "Start": 239, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Ochsendorf FR, Runne U; Chloroquine and hydroxychloroquine: side effect profile of important therapeutic drugs; Hautarzt 42 (3): 140-6 (1991). Precise knowledge of the undesirable effects of chloroquine and hydroxychloroquine allows better exploitation of their therapeutic effects.", + "Markup": + [ + { + "Start": 24, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 40, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxychloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-3652" + }, + { + "Start": 191, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 207, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxychloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-3652" + } + ] + } + ] + } + } + ] + } + ] + } + ] + }, + { + "TOCHeading": "Toxicity", + "Description": "Toxicity information related to this record, includes routes of exposure; related symptoms, acute and chronic effects; numerical measures of toxicity.", + "Section": + [ + { + "TOCHeading": "Toxicological Information", + "Description": "Toxicological Information", + "Section": + [ + { + "TOCHeading": "Toxicity Summary", + "Description": "Toxicity Summary", + "Information": + [ + { + "ReferenceNumber": 10, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Patients experiencing an overdose may present with headache, drowsiness, visual disturbances, nausea, vomiting, cardiovascular collapse, shock, convulsions, respiratory arrest, cardiac arrest, and hypokalemia. Overdose should be managed with symptomatic and supportive treatment which may include prompt emesis, gastric lavage, and activated charcoal.", + "Markup": + [ + { + "Start": 342, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal", + "Type": "PubChem Internal Link", + "Extra": "CID-5462310" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "International Programme on Chemical Safety; Poisons Information Monograph: Chloroquine (PIM 123) (1994) Available from, as of October 24, 2005: https://www.inchem.org/pages/pims.html" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "IDENTIFICATION: Chloroquine is a white or slightly yellow, odorless crystalline powder with a bitter taste. Very slightly soluble in water, soluble in chloroform, ether and dilute acids. Chloroquine diphosphate is a white, bitter, crystalline powder. Chloroquine sulfate is a white, odorless, bitter, crystalline powder. Hydroxychloride chloroquine is a colorless liquid. Uses: Indications: Malaria: Chloroquine is the drug of choice for the prophylaxis and treatment of malaria caused by Plasmodium vivax. P. ovale, P. malariae and sensitive P. falciparum. Amebiasis: Chloroquine is used for the treatment of extraintestinal amebiasis (usually in combination with amebicides). Treatment of discoid lupus erythematosis and rheumatoid arthritis (acute and chronic). Chloroquine may be used for the treatment of these conditions. Other less common indications are: amebic liver abscess, porphyria cutanea tarda, solar urticaria, chronic cutaneous vasculitis. HUMAN EXPOSURE: Main risks and target organs: The main toxic effects of chloroquine are related to its quinidine-like (membrane stabilizing) actions on the heart. Other acute effects are respiratory depression and severe gastro-intestinal irritation. Summary of clinical effects: Toxic manifestations appear rapidly within one to three hours after ingestion and include: Cardiac disturbances: circulatory arrest, shock, conduction disturbances, ventricular arrhythmias. Neurological symptoms: drowsiness, coma and sometimes convulsions. Visual disturbances not uncommon. Respiratory symptoms: apnea. Gastrointestinal symptoms: severe gastrointestinal irritation; nausea, vomiting, cramps, diarrhea. Children are specially sensitive to toxic effects. Dizziness, nausea, vomiting, diarrhea, headache, drowsiness, blurred vision, diplopia, blindness, convulsions, coma, hypotension, cardiogenic shock, cardiac arrest and impaired respiration are the characteristic features of chloroquine poisoning. Electrocardiography (ECG) may show decrease of T wave, widening of QRS, ventricular tachycardia and fibrillation. Hypokalemia is associated with severe poisoning. Contraindications: Hepatic and renal function impairment, blood disorders, gastrointestinal illnesses, glucose-6-phosphate dehydrogenase (G-6-PD) deficiency, severe neurological disorders, retinal or visual field changes. Chloroquine should not be used in association with gold salts or phenylbutazone. Routes of entry: Oral: Oral absorption is the most frequent cause of intoxication. Parenteral: Intoxication after parenteral administration is rare. A fatal outcome reported was after 250 mg IV chloroquine in a 42-year-old man. Absorption by route of exposure: Readily and almost completely absorbed from the gastrointestinal tract. Bioavailability is 89% for tablets. Peak plasma concentration is reached 1.5 to 3 hours after ingestion. Distribution by route of exposure: Protein binding: 5O to 65%. Chloroquine accumulates in high concentrations in kidney, liver, lung and spleen, and is strongly bound in melanin-containing cells (eye and skin). Red cell concentration is five to ten times the plasma concentration. Very low concentrations are found in the intestinal wall. Crosses the placenta. Biological half-life by route of exposure: Plasma terminal half-life is mean 278 hours or 70 to 120 hours. Shorter plasma elimination half-lives have been reported in children: 75 to 136 hours. Metabolism: Chloroquine undergoes metabolism by hepatic mechanisms. The main active metabolite is desethylchloroquine. Plasma half-life of desethylchloroquine is similar to chloroquine. Elimination by route of exposure: Chloroquine is eliminated very slowly. About 55% is excreted in urine and 19% in feces within 77 days following therapy with 310 mg for 14 days. Kidney: in urine about 70% is unchanged chloroquine and 23% is desethylchloroquine. It is excreted in breast milk. Toxicodynamics: The cardiotoxicity of chloroquine is related to it quinidine-like (membrane/stabilizing) effects. Chloroquine has a negative inotropic action, inhibits spontaneous diastolic depolarization, slows conduction, lengthens the effective refractory period and raises the electrical threshold. This results in depression of contractility, impairment of conductivity, decrease of excitability, but with possible abnormal stimulus re-entry mechanism. Hypokalemia: Acute hypokalemia may occur in acute poisoning. It is probably related to intracellular transport of potassium by a direct effect on cellular membrane permeability. Neurological symptoms: Neurological symptoms in acute overdose may be related to a direct toxic effect on CNS or to cerebral ischemia due to circulatory failure or respiratory insufficiency. The mechanism of the anti-inflammatory effect is not known. Toxicity: Human data: Chloroquine has a low margin of safety; the therapeutic, toxic and lethal doses are very close. Fatalities have been reported in children after chloroquine overdoses. Interactions: Chloroquine toxicity may be increased by all drugs with quinidine-like effects. Combination with hepatotoxic or dermatitis-causing medication should be avoided, as well as with heparin (risk of hemorrhage) and penicillamine. Eye: Keratopathy and retinopathy may occur when large doses of chloroquine are used for long periods. Changes occurring in the cornea are usually completely reversible on discontinuing treatment; changes in the retina, pigmentary degeneration of the retina, loss of vision, scotomas, optic nerve atrophy, field defects and blindness are irreversible. Retinopathy is considered to occur when the total cumulative dose ingested exceeds 100 g. Blurring of vision, diplopia may occur with short-term chloroquine therapy and are reversible. ANIMAL/PLANT STUDIES: The following progression of ECG changes was observed in dogs with experimental overdosage: severe tachycardia preceded by loss of voltage and widening of QRS, followed by sinus bradycardia, ventricular tachycardia, ventricular fibrillation and finally asystole.", + "Markup": + [ + { + "Start": 16, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 134, + "Length": 5, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water", + "Type": "PubChem Internal Link", + "Extra": "CID-962" + }, + { + "Start": 152, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroform", + "Type": "PubChem Internal Link", + "Extra": "CID-6212" + }, + { + "Start": 188, + "Length": 23, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine%20diphosphate", + "Type": "PubChem Internal Link", + "Extra": "CID-64927" + }, + { + "Start": 252, + "Length": 19, 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"TOCHeading": "Hepatotoxicity", + "Description": "This section provides a short description about the hepatotoxicity that associated with the agent, the rate of serum enzyme elevations during use, and the frequency and character of the clinically apparent liver injury associated with the medication.", + "URL": "https://www.ncbi.nlm.nih.gov/books/NBK547852/", + "Information": + [ + { + "ReferenceNumber": 22, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Despite use for more than 50 years, chloroquine has rarely been linked to serum aminotransferase elevations or to clinically apparent acute liver injury. In patients with acute porphyria and porphyria cutanea tarda, chloroquine can trigger an acute attack with fever and serum aminotransferase elevations, sometimes resulting in jaundice. Hydroxychloroquine does not cause this reaction and appears to have partial beneficial effects in porphyria. In clinical trials of chloroquine for COVID-19 prevention and treatment, there were no reports of hepatotoxicity, and rates of serum enzyme elevations during chloroquine treatment were low and similar to those in patients receiving placebo or standard of care.", + "Markup": + [ + { + "Start": 36, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 216, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 339, + "Length": 18, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Hydroxychloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-3652" + }, + { + "Start": 470, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 606, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + }, + { + "String": "Likelihood score: D (possible rare cause of clinically apparent liver injury)." + } + ] + } + } + ] + }, + { + "TOCHeading": "Drug Induced Liver Injury", + "Description": "Severity grade was defined by the description of drug-induced liver injury severity in the drug labeling, ranging from 1 to 8 with 1 (steatosis) as lowest and 8 (fatal hepatotoxicity) as highest grade. More detail could be found in Chen et al. Drug Discovery Today 2016 (PMID:21624500 DOI:10.1016/j.drudis.2011.05.007).", + "URL": "https://www.fda.gov/science-research/liver-toxicity-knowledge-base-ltkb/drug-induced-liver-injury-rank-dilirank-dataset", + "DisplayControls": + { + "CreateTable": + { + "FromInformationIn": "ThisSection", + "NumberOfColumns": 2, + "ColumnContents": + [ + "Name", + "Value" + ] + } + }, + "Information": + [ + { + "ReferenceNumber": 9, + "Name": "Compound", + "Value": + { + "StringWithMarkup": + [ + { + "String": "chloroquine" + } + ] + } + }, + { + "ReferenceNumber": 9, + "Name": "DILI Annotation", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Less-DILI-Concern" + } + ] + } + }, + { + "ReferenceNumber": 9, + "Name": "Severity Grade", + "Value": + { + "StringWithMarkup": + [ + { + "String": "3" + } + ] + } + }, + { + "ReferenceNumber": 9, + "Name": "Label Section", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Adverse reactions" + } + ] + } + }, + { + "ReferenceNumber": 9, + "Name": "References", + "Value": + { + "StringWithMarkup": + [ + { + "String": "M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. FDA-Approved Drug Labeling for the Study of Drug-Induced Liver Injury, Drug Discovery Today, 16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007", + "Markup": + [ + { + "Start": 165, + "Length": 13, + "URL": "https://pubmed.ncbi.nlm.nih.gov/21624500/" + }, + { + "Start": 179, + "Length": 32, + "URL": "https://doi.org/10.1016/j.drudis.2011.05.007" + } + ] + }, + { + "String": "M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans. Drug Discov Today 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015", + "Markup": + [ + { + "Start": 202, + "Length": 13, + "URL": "https://pubmed.ncbi.nlm.nih.gov/26948801/" + }, + { + "Start": 216, + "Length": 32, + "URL": "https://doi.org/10.1016/j.drudis.2016.02.015" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Evidence for Carcinogenicity", + "Description": "Evidence for substance or agent that can cause cancer", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. S7 60 (1987)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "No data are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans." + } + ] + } + } + ] + }, + { + "TOCHeading": "Carcinogen Classification", + "Description": "This section provide the International Agency for Research on Cancer (IARC) Carcinogenic Classification and related monograph links.", + "URL": "https://monographs.iarc.who.int/agents-classified-by-the-iarc/", + "DisplayControls": + { + "CreateTable": + { + "FromInformationIn": "ThisSection", + "NumberOfColumns": 2, + "ColumnContents": + [ + "Name", + "Value" + ] + } + }, + "Information": + [ + { + "ReferenceNumber": 21, + "Name": "IARC Carcinogenic Agent", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine" + } + ] + } + }, + { + "ReferenceNumber": 21, + "Name": "IARC Carcinogenic Classes", + "Reference": + [ + "https://monographs.iarc.who.int/agents-classified-by-the-iarc/" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Group 3: Not classifiable as to its carcinogenicity to humans" + } + ] + } + }, + { + "ReferenceNumber": 21, + "Name": "IARC Monographs", + "Value": + { + "StringWithMarkup": + [ + { + "String": "Volume 13: (1977) Some Miscellaneous Pharmaceutical Substances", + "Markup": + [ + { + "Start": 0, + "Length": 9, + "URL": "http://publications.iarc.fr/31" + } + ] + }, + { + "String": "Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)", + "Markup": + [ + { + "Start": 0, + "Length": 12, + "URL": "http://publications.iarc.fr/139" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Acute Effects", + "Description": "The results from acute animal tests and/or acute human studies are presented in this section. Acute animal studies consist of LD50 and LC50 tests, which present the median lethal dose (or concentration) to the animals. Acute human studies usually consist of case reports from accidental poisonings or industrial accidents. These case reports often help to define the levels at which acute toxic effects are seen in humans.", + "Information": + [ + { + "ReferenceNumber": 5, + "Value": + { + "ExternalTableName": "chemidplus", + "ExternalTableNumRows": 19 + } + } + ] + }, + { + "TOCHeading": "Interactions", + "Description": "Interactions", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Thomson.Micromedex. Drug Information for the Health Care Professional. 25th ed. Volume 1. Plus Updates. Content Reviewed by the United States Pharmacopeial Convention, Inc. Greenwood Village, CO. 2005., p. 838" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Concurrent use of penicillamine /with chloroquine/ may increase penicillamine plasma concentrations, increasing the potential for serious hematologic and/or renal adverse reactions as well as the possibility of severe skin reactions.", + "Markup": + [ + { + "Start": 18, + "Length": 13, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/penicillamine", + "Type": "PubChem Internal Link", + "Extra": "CID-5852" + }, + { + "Start": 38, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 64, + "Length": 13, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/penicillamine", + "Type": "PubChem Internal Link", + "Extra": "CID-5852" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Thomson.Micromedex. Drug Information for the Health Care Professional. 25th ed. Volume 1. Plus Updates. Content Reviewed by the United States Pharmacopeial Convention, Inc. Greenwood Village, CO. 2005., p. 838" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Concurrent use /of mefloquine and chloroquine may increase the risk of seizures.", + "Markup": + [ + { + "Start": 19, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/mefloquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4046" + }, + { + "Start": 34, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Thomson.Micromedex. Drug Information for the Health Care Professional. 25th ed. Volume 1. Plus Updates. Content Reviewed by the United States Pharmacopeial Convention, Inc. Greenwood Village, CO. 2005., p. 838" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Concurrent use of other hepatotoxic medications with chloroquine may increase the potential for hepatotoxicity and should be avoided.", + "Markup": + [ + { + "Start": 53, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Thomson.Micromedex. Drug Information for the Health Care Professional. 25th ed. Volume 1. Plus Updates. Content Reviewed by the United States Pharmacopeial Convention, Inc. Greenwood Village, CO. 2005., p. 838" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Concurrent use may cause a sudden increase in cyclosporine plasma concentrations; close monitoring of serum cyclosporine level is recommended following concurrent use of chloroquine; chloroquine should be discontinued if necessary.", + "Markup": + [ + { + "Start": 46, + "Length": 12, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/cyclosporine", + "Type": "PubChem Internal Link", + "Extra": "CID-5280754" + }, + { + "Start": 108, + "Length": 12, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/cyclosporine", + "Type": "PubChem Internal Link", + "Extra": "CID-5280754" + }, + { + "Start": 170, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 183, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Interactions (Complete) data for CHLOROQUINE (16 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 83, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Interactions-(Complete)" + }, + { + "Start": 42, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Antidote and Emergency Treatment", + "Description": "Antidote and Emergency Treatment", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2006., p. 859" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Treatment of overdosage of 4-aminoquinoline derivatives must be prompt, since acute toxicity with the drugs can progress rapidly, possibly leading to cardiovascular collapse and respiratory and cardiac arrest. ECG should be monitored. Because of the importance of supporting respiration, early endotracheal intubation and mechanical ventilation may be necessary. Early gastric lavage may provide some benefit in reducing absorption of the drugs, but generally should be preceded by measures to correct severe cardiovascular disturbances, if present, and by respiratory support that includes endotracheal intubation with cuff inflated and in place to prevent aspiration (since seizures may occur). IV diazepam may control seizures and other manifestations of cerebral stimulation and, possibly, may prevent or minimize other toxic effects (eg, cardiotoxicity, including ECG abnormalities and conduction disturbances) of 4-aminoquinoline derivatives. However, additional study and experience are necessary to further establish the effects of diazepam on noncerebral manifestations of toxicity with these drugs. If seizures are caused by anoxia, anoxia should be corrected with oxygen and respiratory support. Equipment and facilities for cardioversion and for insertion of a transvenous pacemaker should be readily available. Administration of IV fluids and placement of the patient in Trendelenburg's position may be useful in managing hypotension, but more aggressive therapy, including administration of vasopressors (eg, epinephrine, isoproterenol, dopamine), may be necessary, particularly if shock appears to be impending. Administration of activated charcoal by stomach tube, after lavage and within 30 min after ingestion of 4-aminoquinoline derivatives, may inhibit further intestinal absorption of the drugs; the dose of activated charcoal should be at least 5 times the estimated dose of chloroquine... ingested. Peritoneal dialysis, hemodialysis, and hemoperfusion do not appear to be useful in the management of overdosage with 4-aminoquinoline derivatives. Patients who survive the acute phase of overdosage and are asymptomatic should be closely observed for at least 48-96 hr after ingestion", + "Markup": + [ + { + "Start": 27, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-68476" + }, + { + "Start": 700, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 919, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-68476" + }, + { + "Start": 1040, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 1175, + "Length": 6, + "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Oxygen", + "Type": "PubChem Internal Link", + "Extra": "Element-Oxygen" + }, + { + "Start": 1523, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/epinephrine", + "Type": "PubChem Internal Link", + "Extra": "CID-5816" + }, + { + "Start": 1536, + "Length": 13, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/isoproterenol", + "Type": "PubChem Internal Link", + "Extra": "CID-3779" + }, + { + "Start": 1551, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dopamine", + "Type": "PubChem Internal Link", + "Extra": "CID-681" + }, + { + "Start": 1655, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal", + "Type": "PubChem Internal Link", + "Extra": "CID-5462310" + }, + { + "Start": 1731, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-68476" + }, + { + "Start": 1839, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal", + "Type": "PubChem Internal Link", + "Extra": "CID-5462310" + }, + { + "Start": 1897, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 2039, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-aminoquinoline", + "Type": "PubChem Internal Link", + "Extra": "CID-68476" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:1503290", + "Demaziere J et al; Ann Fr Anesth Reanim 11 (2): 164-7 (1992)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "A retrospective study was carried out, over a twelve year period, of all cases of acute chloroquine poisoning where more than 2 g of chloroquine had been taken. It included 386 patients; of these, 60 who had taken drugs other than chloroquine, and 17 who had ingested less than 1 g of the drug, were excluded. The remaining 309 patients were allocated to two groups: a control group, consisting of the patients admitted between January 1973 and April 1980 (n = 146), and a diazepam group, made up of those admitted from May 1980 to December 1989 (n = 163). The patients in the latter group had had the same symptomatic treatment as those in the control group, and had been routinely given a 0.5 mg/kg bolus of diazepam on admission followed by 0.1 mg/kg/day for every 100 mg of chloroquine supposed to have been ingested. Both groups were divided into three subgroups, those patients with cardiorespiratory arrest, and those with, and those without, symptoms on admission. No statistically significant difference was found between either the control and diazepam groups or between subgroups, concerning the distribution of age, sex, amount of chloroquine supposed to have been ingested, delay in hospital admission and death rate. However, there was a higher death rate in the asymptomatic subgroup not treated with diazepam than in the diazepam group. Therefore, the routine use of diazepam for the treatment of acute chloroquine poisoning does not seem to be justified in symptomatic cases and in those with inaugural cardiac arrest.", + "Markup": + [ + { + "Start": 88, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 133, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 231, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 473, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 710, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 778, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 1054, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 1143, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 1316, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 1337, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 1383, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 1419, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:1503289", + "Kempf J, Saissy JM; Ann Fr Anesth Reanim 11 (2): 160-3 (1992)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "The effects of diazepam and the incidence of hypoxemia on the course of acute chloroquine poisoning were studied prospectively in 21 patients. Patients excluded were those who had ingested more than one drug or who had major symptoms on admission (systolic blood pressure less than 80 mmHg; QRS greater than 0.12 s; cardiac dysrhythmias, respiratory disturbances). Arterial blood gases were measured on admission (T0) and 15 min after 0.5 mg/kg of diazepam had been given (T1). Gastric lavage was carried out as soon as the results of the blood gases had been obtained, and after treatment of hypoxemia (PaO2 < 90 mmHg). An infusion of diazepam (1 mg/kg/day) was then given. Arterial blood gases were measured after 1 (T2), 6 (T3), 12 (T4) and 24 hr (T5). Hypoxemia was present on admission in four patients who had a PaO2 = 75 + or - 10 mmHg (Pa(sys) = 130 + or - 19 mmHg; blood chloroquine concn = 8.2 + or - 5.2 umol/L; kaliemia /serum potassium/ = 3.1 + or - 0.3 mmol/L; PaCO2 = 35 + or - 1 mmHg). In two patients, hypoxemia decreased after the initial dose of diazepam (T1); however, oxygen was still required by the other two at that time. Oxygen was no longer needed by any patient at T2, as all the blood gas values had returned to normal.", + "Markup": + [ + { + "Start": 15, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + }, + { + "Start": 78, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 448, + "Length": 8, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diazepam", + "Type": "PubChem Internal Link", + "Extra": "CID-3016" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Olson, K.R. (Ed.); Poisoning & Drug Overdose. 4th ed. Lange Medical Books/McGraw-Hill. New York, N.Y. 2004., p. 166" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "Emergency and supportive measures: Maintain an open airway and assist ventilation if necessary. Treat seizures, coma, hypotension, and methemoglobinemia if they occur. Treat massive hemolysis with blood transfusions if needed, and prevent hemoglobin deposition in the kidney tubules by alkaline diuresis ... continuously monitor the ECG for at least 6 to 8 hr." + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Antidote and Emergency Treatment (Complete) data for CHLOROQUINE (8 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 102, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Antidote-and-Emergency-Treatment-(Complete)" + }, + { + "Start": 62, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Human Toxicity Excerpts", + "Description": "Human Toxicity Excerpts", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:2051527", + "elZaki K et al; J Trop Med Hyg 94 (3): 206-9 (1991)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/HUMAN EXPOSURE STUDIES/ This prospective study contains clinical and experimental parts. In the clinical study, 125 patients given im chloroquine for malaria were followed for 2 months in order to detect local injection site complications. Adequate local antiseptic conditions were ensured before giving the injection. Twenty three patients (18.4%) had minimal local reaction in the form of redness, induration and/or a lump. No pyogenic abscess was noted in contrast to a previous report.", + "Markup": + [ + { + "Start": 135, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Olson, K.R. (Ed.); Poisoning & Drug Overdose. 4th ed. Lange Medical Books/McGraw-Hill. New York, N.Y. 2004., p. 166" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/HUMAN EXPOSURE STUDIES/ Cardiotoxicity may be seen with serum levels of 1 mg/L (1000 ng/mL); serum levels reported in fetal cases have ranged from 1 to 210 mg/L (average, 60 mg/L)." + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:3306266", + "Jaeger A et al; Med Toxicol Adverse Drug Exp 2 (4): 242-73 (1987)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/SIGNS AND SYMPTOMS/ The toxicities of antimalarial drugs vary because of the differences in the chemical structures of these compounds. Quinine, the oldest antimalarial, has been used for 300 yr. Of the 200 to 300 compounds synthesized since the first synthetic antimalarial, primaquine in 1926, 15 to 20 are currently used for malaria treatment, most of which are quinoline derivatives. Quinoline derivatives, particularly quinine and chloroquine, are highly toxic in overdose. The toxic effects are related to their quinidine-like actions on the heart and include circulatory arrest, cardiogenic shock, conduction disturbances and ventricular arrhythmias. Additional clinical features are obnubilation, coma, convulsions, respiratory depression. Blindness is a frequent complication in quinine overdose. Hypokalaemia is consistently present, although apparently self-correcting, in severe chloroquine poisoning and is a good index of severity. Recent toxicokinetic studies of quinine and chloroquine showed good correlations between dose ingested, serum concn and clinical features, and confirmed the inefficacy of hemodialysis, hemoperfusion and peritoneal dialysis for enhancing drug removal. The other quinoline derivatives appear to be less toxic. Amodiaquine may induce side effects such as gastrointestinal symptoms, agranulocytosis and hepatitis. The main feature of primaquine overdose is methemoglobinemia. No cases of mefloquine and piperaquine overdose have been reported. Overdose with quinacrine, an acridine derivative, may result in nausea, vomiting, confusion, convulsion and acute psychosis. The dehydrofolate reductase inhibitors used in malaria treatment are sulfadoxine, dapsone, proguanil (chloroguanide), trimethoprim and pyrimethamine. Most of these drugs are given in combination. Proguanil is one of the safest antimalarials. Convulsion, coma and blindness have been reported in pyrimethamine overdose. Sulfadoxine can induce Lyell and Stevens-Johnson syndromes. The main feature of dapsone poisoning is severe methemoglobinemia which is related to dapsone and to its metabolites. Recent toxicokinetic studies confirmed the efficacy of oral activated charcoal, hemodialysis and hemoperfusion in enhancing removal of dapsone and its metabolites. No overdose has been reported with artemesinine, a new antimalarial tested in the People's Republic of China. 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Light flashes and streaks and other entopic phenomena may also be present." + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Human Toxicity Excerpts (Complete) data for CHLOROQUINE (27 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 94, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Human-Toxicity-Excerpts-(Complete)" + }, + { + "Start": 53, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Non-Human Toxicity Excerpts", + "Description": "Non-Human Toxicity Excerpts", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:8411306", + "Musabayane CT et al; J Trop Med Hyg 96 (5): 305-10 (1993)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/LABORATORY ANIMALS: Acute Exposure/ The effect of a 2 hr iv chloroquine infusion (0.015, 0.030 and 1.25 ug/min) on renal fluid and electrolyte handling was investigated in the saline infused, Inactin anaesthetized rat. Blood pressure and glomerular filtration rate were not affected by chloroquine administration, remaining around 128 mmHg and 2.4 mL/min, respectively throughout the 5 hr post-equilibration period. Chloroquine produced an increase in Na+ and Cl- excretion without affecting the urine flow. By 1 hr after the start of treatment (0.03 ug chloroquine/min) the Na+ excretion rate had increased to 14.5 + or - 2.1 umol/min (n = 6), and was significantly (P < 0.01) greater than in control animals (8.6 + or - 1.0 umol/min) at the corresponding time. Parallel but lesser increases in Cl- excretion rates were also observed. The plasma aldosterone and corticosterone levels following either 10, 30 or 120 min infusion of chloroquine at 0.03 ug/min did not differ statistically from each other or from control values. It is concluded that acute chloroquine administration induces an increase in Na+ excretion. The mechanism of this natriuresis cannot be established from the present study, but is likely to involve altered tubular handling of Na+.", + "Markup": + [ + { + "Start": 61, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 193, + "Length": 7, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Inactin", + "Type": "PubChem Internal Link", + "Extra": "CID-15086288" + }, + { + "Start": 287, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 417, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 555, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V13 51 (1976)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Groups of 10 male and 10 female 21-day-old Osborne-Mendel rats were given 0 (control), 100, 200, 400, 800 or 1000 mg/kg of diet chloroquine for up to 2 years. Inhibition of growth was severe at the 800 and 1000 mg/kg levels but temporary at 400 mg/kg. The toxicity of chloroquine became progressively more severe with increasing dosage, and 100% mortality was observed at the two highest dose levels at 35 and 25 weeks, respectively. No tumours were reported in 86 treated rats or in 15 control rats examined microscopically", + "Markup": + [ + { + "Start": 186, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 326, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V13 51 (1976)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ In two year ... study in rats fed diets containing from 100-1000 mg ... /kg of diet/ ... myocardial and voluntary muscle damage, centrilobular necrosis of liver and testicular atrophy were ... observed." + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "PMID:1437656", + "el-Mofty MM et al; Nutr Cancer 18 (2): 191-8 (1992)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Feeding Egyptian toads (Bufo regularis) with chloroquine and primaquine separately induced tumor formation in 14% and 19% of the animals, respectively. When chloroquine and primaquine were given in combination, the tumor incidence increased to 23.5%. Chloroquine feeding resulted in tumors located in the liver (lymphosarcomas) and primaquine in tumors in the kidney (histiocytic sarcomas). Toads fed chloroquine plus primaquine developed tumors in the liver, kidney, lung, and urinary bladder, and all the tumors were diagnosed as histiocytic sarcomas. It is speculated that one or more metabolites of chloroquine and primaquine (eg, quinone) may be responsible for tumor induction in the toads.", + "Markup": + [ + { + "Start": 103, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 119, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/primaquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4908" + }, + { + "Start": 215, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 231, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/primaquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4908" + }, + { + "Start": 309, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 390, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/primaquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4908" + }, + { + "Start": 459, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 476, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/primaquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4908" + }, + { + "Start": 661, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 677, + "Length": 10, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/primaquine", + "Type": "PubChem Internal Link", + "Extra": "CID-4908" + } + ] + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Value": + { + "StringWithMarkup": + [ + { + "String": "For more Non-Human Toxicity Excerpts (Complete) data for CHLOROQUINE (11 total), please visit the HSDB record page.", + "Markup": + [ + { + "Start": 98, + "Length": 16, + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029#section=Non-Human-Toxicity-Excerpts-(Complete)" + }, + { + "Start": 57, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/CHLOROQUINE", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Human Toxicity Values", + "Description": "Human Toxicity Values", + "DisplayControls": + { + "ShowAtMost": 5 + }, + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2006., p. 859" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "... Reports of suicides have indicated that the margin of safety in adults is also small. Without prompt effective therapy, acute ingestion of 5 g or more of chloroquine in adults has usually been fatal, although death has occurred with smaller doses. Fatalities have been reported following the accidental ingestion of relatively small doses of chloroquine (e.g., 750 mg or 1 g of chloroquine phosphate in a 3-year-old child).", + "Markup": + [ + { + "Start": 158, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 346, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 382, + "Length": 21, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine%20phosphate", + "Type": "PubChem Internal Link", + "Extra": "CID-64927" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Non-Human Toxicity Values", + "Description": "Non-Human Toxicity Values", + "DisplayControls": + { + "ShowAtMost": 5 + }, + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 551" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "LD50 Rat oral 330 mg/kg" + } + ] + } + }, + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 551" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "LD50 Mouse oral 311 mg/kg" + } + ] + } + } + ] + }, + { + "TOCHeading": "Protein Binding", + "Description": "Protein Binding", + "Information": + [ + { + "ReferenceNumber": 10, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Chloroquine is 46-74% bound to plasma proteins. (-)-chloroquine binds more strongly to alpha-1-acid glycoprotein and (+)-chloroquine binds more strongly to serum albumin.", + "Markup": + [ + { + "Start": 0, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + }, + { + "Start": 48, + "Length": 15, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/%28-%29-chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-444810" + }, + { + "Start": 117, + "Length": 15, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/%28%2B%29-chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-639540" + } + ] + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Ecological Information", + "Description": "This section provides eco-related toxicity information.", + "Section": + [ + { + "TOCHeading": "Environmental Water Concentrations", + "Description": "Environmental Water Concentrations", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "(1) Heberer T; Tox Lett 131: 5-17 (2002) (2) Koplin DW et al; Environ Sci Toxicol 36: 1202-211 (2002)" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "While data specific to chloroquine were not available(SRC, 2005), the literature suggests that some pharmaceutically active compounds originating from human and veterinary therapy are not eliminated completely in municipal sewage treatment plants and are therefore discharged into receiving waters(1). Wastewater treatment processes often were not designed to remove them from the effluent(2). Another concern is that selected organic waste compounds may be degrading to new and more persistent compounds that may be released instead of or in addition to the parent compound(2). Studies have indicated that several polar pharmaceutically active compounds can leach through subsoils(1).", + "Markup": + [ + { + "Start": 23, + "Length": 11, + "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroquine", + "Type": "PubChem Internal Link", + "Extra": "CID-2719" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "Milk Concentrations", + "Description": "Milk Concentrations", + "Information": + [ + { + "ReferenceNumber": 18, + "Description": "PEER REVIEWED", + "Reference": + [ + "McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2006., p. 860" + ], + "Value": + { + "StringWithMarkup": + [ + { + "String": "EXPERIMENTAL: Small amounts of chloroquine and its major metabolite, desethylchloroquine, are distributed into milk. 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The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.", + "URL": "https://pubchemdocs.ncbi.nlm.nih.gov/knowledge-panels", + "Information": + [ + { + "ReferenceNumber": 69, + "Name": "Co-Occurrence Panel", + "Value": + { + "StringWithMarkup": + [ + { + "String": "ChemicalDiseaseNeighbor" + }, + { + "String": "Disease" + }, + { + "String": "ChemicalName" + }, + { + "String": "DiseaseName" + }, + { + "String": "https://meshb.nlm.nih.gov/record/ui?ui=" + }, + { + "String": "CID" + }, + { + "String": "MeSH" + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Patents", + "Description": "A PubChem summary page displays Patent information when available for the given molecule.", + "URL": "https://pubchemdocs.ncbi.nlm.nih.gov/patents", + "DisplayControls": + { + "ListType": "Columns" + }, + "Section": + [ + { + "TOCHeading": "Depositor-Supplied Patent Identifiers", + "Description": "Patent identifiers and more information provided by depositors in form of a widget.", + "Information": + [ + { + "ReferenceNumber": 69, + "Value": + { + "ExternalTableName": "patent" + } + }, + { + "ReferenceNumber": 69, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Link to all deposited patent identifiers", + "Markup": + [ + { + "Start": 0, + "Length": 40, + "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2719/xrefs/PatentID/TXT" + } + ] + } + ] + } + } + ] + }, + { + "TOCHeading": "WIPO PATENTSCOPE", + "Description": "Use the provided link to show patents associated with this chemical structure in WIPO's PATENTSCOPE system.", + "URL": "https://patentscope.wipo.int/", + "Information": + [ + { + "ReferenceNumber": 91, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Patents are available for this chemical structure:" + }, + { + "String": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "Markup": + [ + { + "Start": 0, + "Length": 86, + "URL": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N" + } + ] + } + ] + } + } + ] + } + ] + }, + { + "TOCHeading": "Biomolecular Interactions and Pathways", + "Description": "A PubChem summary page displays biomolecular interactions and pathways information when available for the given record.", + "Section": + [ + { + "TOCHeading": "Drug-Gene Interactions", + "Description": "Drug-gene interactions provided by the Drug Gene Interaction Database (DGIdb)", + "Information": + [ + { + "ReferenceNumber": 8, + "Value": + { + "ExternalTableName": "collection=dgidb&view=concise_cid" + } + } + ] + }, + { + "TOCHeading": "Chemical-Gene Interactions", + "Description": "Interactions between chemical and this gene", + "Section": + [ + { + "TOCHeading": "CTD Chemical-Gene Interactions", + "Description": "Chemical-gene interactions provided by the Comparative Toxicogenomics Database (CTD)", + "Information": + [ + { + "ReferenceNumber": 7, + "Value": + { + "ExternalTableName": "ctdchemicalgene" + } + } + ] + } + ] + }, + { + "TOCHeading": "DrugBank Interactions", + "Description": "Drug interactions with macromolecules such as targets, enzymes, transporters, and carriers", + "Information": + [ + { + "ReferenceNumber": 10, + "Value": + { + "ExternalTableName": "collection=drugbank&view=concise_cid" + } + } + ] + }, + { + "TOCHeading": "Drug-Drug Interactions", + "Description": "A drug-drug interaction is a change in the action or side effects of a drug caused by concomitant administration with another drug.", + "Information": + [ + { + "ReferenceNumber": 10, + "Value": + { + "ExternalTableName": "drugbankddi" + } + } + ] + }, + { + "TOCHeading": "Drug-Food Interactions", + "Description": "A drug-food interaction occurs when your food and medicine interfere with one another", + "DisplayControls": + { + "ListType": "Bulleted" + }, + "Information": + [ + { + "ReferenceNumber": 10, + "Value": + { + "StringWithMarkup": + [ + { + "String": "Take with food. 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(Note that you can embed biological test results displays within your own web pages, for a PubChem Compound or Substance of interest, by using the BioActivity Widget.)", + "URL": "https://pubchemdocs.ncbi.nlm.nih.gov/bioassays", + "Section": + [ + { + "TOCHeading": "BioAssay Results", + "Description": "BioActivity information showed in tabular widget.", + "Information": + [ + { + "ReferenceNumber": 69, + "Value": + { + "ExternalTableName": "bioactivity" + } + } + ] + } + ] + }, + { + "TOCHeading": "Taxonomy", + "Description": "The organism(s) where the compound originated or is associated", + "Information": + [ + { + "ReferenceNumber": 23, + "Reference": + [ + "The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106" + ], + "Value": + { + "ExternalTableName": "collection=lotus&view=concise_cid" + } + } + ] + }, + { + "TOCHeading": "Classification", + "Description": "Classification systems from MeSH, ChEBI, Kegg, etc.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification", + "Section": + [ + { + "TOCHeading": "Ontologies", + "Description": "Ontologies", + "Section": + [ + { + "TOCHeading": "MeSH Tree", + "Description": "MeSH tree", + "Information": + [ + { + "ReferenceNumber": 70, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=1", + "Value": + { + "Number": + [ + 1 + ] + } + } + ] + }, + { + "TOCHeading": "NCI Thesaurus Tree", + "Description": "NCI Thesaurus (NCIt) hierarchy", + "URL": "https://ncithesaurus.nci.nih.gov", + "Information": + [ + { + "ReferenceNumber": 86, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=112", + "Value": + { + "Number": + [ + 112 + ] + } + } + ] + }, + { + "TOCHeading": "ChEBI Ontology", + "Description": "ChEBI Ontology tree", + "Information": + [ + { + "ReferenceNumber": 71, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=2", + "Value": + { + "Number": + [ + 2 + ] + } + } + ] + }, + { + "TOCHeading": "KEGG: ATC", + "Description": "KEGG : ATC tree", + "Information": + [ + { + "ReferenceNumber": 72, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=16", + "Value": + { + "Number": + [ + 16 + ] + } + } + ] + }, + { + "TOCHeading": "KEGG : Antiinfectives", + "Description": "KEGG : Antiinfectives tree", + "Information": + [ + { + "ReferenceNumber": 73, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=20", + "Value": + { + "Number": + [ + 20 + ] + } + } + ] + }, + { + "TOCHeading": "WHO ATC Classification System", + "Description": "The Anatomical Therapeutic Chemical (ATC) Classification System is used for the classification of drugs. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics. Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 as a drug for local oral treatment, B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic. On the other hand, several different brands share the same code if they have the same active substance and indications.", + "URL": "http://www.whocc.no/atc/", + "Information": + [ + { + "ReferenceNumber": 75, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=79", + "Value": + { + "Number": + [ + 79 + ] + } + } + ] + }, + { + "TOCHeading": "ChemIDplus", + "Description": "ChemIDplus tree", + "Information": + [ + { + "ReferenceNumber": 77, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=84", + "Value": + { + "Number": + [ + 84 + ] + } + } + ] + }, + { + "TOCHeading": "IUPHAR/BPS Guide to PHARMACOLOGY Target Classification", + "Description": "Protein classification from IUPHAR/BPS Guide to PHARMACOLOGY", + "URL": "http://guidetopharmacology.org/targets.jsp", + "Information": + [ + { + "ReferenceNumber": 79, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=92", + "Value": + { + "Number": + [ + 92 + ] + } + } + ] + }, + { + "TOCHeading": "ChEMBL Target Tree", + "Description": "Protein target tree from ChEMBL", + "URL": "https://www.ebi.ac.uk/chembl/target/browser", + "Information": + [ + { + "ReferenceNumber": 78, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=87", + "Value": + { + "Number": + [ + 87 + ] + } + } + ] + }, + { + "TOCHeading": "UN GHS Classification", + "Description": "The United Nations' Globally Harmonized System of Classification and Labelling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures.", + "Information": + [ + { + "ReferenceNumber": 76, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=83", + "Value": + { + "Number": + [ + 83 + ] + } + } + ] + }, + { + "TOCHeading": "NORMAN Suspect List Exchange Classification", + "Description": "NORMAN Suspect List Exchange Classification", + "Information": + [ + { + "ReferenceNumber": 80, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101", + "Value": + { + "Number": + [ + 101 + ] + } + } + ] + }, + { + "TOCHeading": "CCSBase Classification", + "Description": "CCSBase Classification", + "Information": + [ + { + "ReferenceNumber": 81, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=104", + "Value": + { + "Number": + [ + 104 + ] + } + } + ] + }, + { + "TOCHeading": "EPA DSSTox Classification", + "Description": "EPA DSSTox Classification", + "Information": + [ + { + "ReferenceNumber": 82, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=105", + "Value": + { + "Number": + [ + 105 + ] + } + } + ] + }, + { + "TOCHeading": "International Agency for Research on Cancer (IARC) Classification", + "Description": "International Agency for Research on Cancer (IARC) Classification", + "Information": + [ + { + "ReferenceNumber": 84, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=107", + "Value": + { + "Number": + [ + 107 + ] + } + } + ] + }, + { + "TOCHeading": "LOTUS Tree", + "Description": "Biological and chemical tree provided by the the naturaL prOducTs occUrrence databaSe (LOTUS)", + "URL": "https://lotus.naturalproducts.net/", + "Information": + [ + { + "ReferenceNumber": 87, + "Name": "HID", + "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=115", + "Value": + { + "Number": + [ + 115 + ] + } + } + ] + } + ] + } + ] + } + ], + "Reference": + [ + { + "ReferenceNumber": 1, + "SourceName": "CAS Common Chemistry", + "SourceID": "54-05-7", + "Name": "Chloroquine", + "Description": "CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society.", + "URL": "https://commonchemistry.cas.org/detail?cas_rn=54-05-7", + "LicenseNote": "The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.", + "LicenseURL": "https://creativecommons.org/licenses/by-nc/4.0/", + "ANID": 13015812 + }, + { + "ReferenceNumber": 4, + "SourceName": "ChemIDplus", + "SourceID": "0000054057", + "Name": "Chloroquine [USP:INN:BAN]", + "Description": "ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system.", + "URL": "https://chem.nlm.nih.gov/chemidplus/sid/0000054057", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html", + "IsToxnet": true, + "ANID": 762003 + }, + { + "ReferenceNumber": 10, + "SourceName": "DrugBank", + "SourceID": "DB00608", + "Name": "Chloroquine", + "Description": "The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.", + "URL": "https://www.drugbank.ca/drugs/DB00608", + "LicenseNote": "Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)", + "LicenseURL": "https://www.drugbank.ca/legal/terms_of_use", + "ANID": 3604382 + }, + { + "ReferenceNumber": 11, + "SourceName": "DTP/NCI", + "SourceID": "NSC 187208", + "Name": "chloroquine", + "Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.", + "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=187208", + "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.", + "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse", + "ANID": 6746909 + }, + { + "ReferenceNumber": 12, + "SourceName": "EPA DSSTox", + "SourceID": "DTXSID2040446", + "Name": "Chloroquine", + "Description": "DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology.", + "URL": "https://comptox.epa.gov/dashboard/DTXSID2040446", + "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources", + "ANID": 1157411 + }, + { + "ReferenceNumber": 15, + "SourceName": "European Chemicals Agency (ECHA)", + "SourceID": "200-191-2", + "Name": "Chloroquine", + "Description": "The European Chemicals Agency (ECHA) is an agency of the European Union which is the driving force among regulatory authorities in implementing the EU's groundbreaking chemicals legislation for the benefit of human health and the environment as well as for innovation and competitiveness.", + "URL": "https://echa.europa.eu/substance-information/-/substanceinfo/100.000.175", + "LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.", + "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice", + "ANID": 2018228 + }, + { + "ReferenceNumber": 18, + "SourceName": "Hazardous Substances Data Bank (HSDB)", + "SourceID": "3029", + "Name": "CHLOROQUINE", + "Description": "The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029", + "IsToxnet": true, + "ANID": 2211 + }, + { + "ReferenceNumber": 19, + "SourceName": "Human Metabolome Database (HMDB)", + "SourceID": "HMDB0014746", + "Name": "Chloroquine", + "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.", + "URL": "http://www.hmdb.ca/metabolites/HMDB0014746", + "LicenseNote": "\tHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.", + "LicenseURL": "http://www.hmdb.ca/citing", + "ANID": 2151222 + }, + { + "ReferenceNumber": 2, + "SourceName": "CCSbase", + "SourceID": "CCSBASE_59309EAE4E", + "Name": "Chloroquine", + "Description": "CCSbase curates experimental collision cross section values measured on various ion mobility platforms as a resource for the research community. CCSbase also builds prediction models for comprehensive prediction of collision cross sections for a given molecule.", + "ANID": 9265152 + }, + { + "ReferenceNumber": 3, + "SourceName": "ChEBI", + "SourceID": "CHEBI:OBO:2719", + "Name": "Chloroquine", + "Description": "Chemical Entities of Biological Interest (ChEBI) is a database and ontology of molecular entities focused on 'small' chemical compounds, that is part of the Open Biomedical Ontologies effort. 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Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.", + "LicenseURL": "https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use", + "ANID": 5187499 + }, + { + "ReferenceNumber": 7, + "SourceName": "Comparative Toxicogenomics Database (CTD)", + "SourceID": "D002738::Compound", + "Description": "CTD is a robust, publicly available database that aims to advance understanding about how environmental exposures affect human health.", + "URL": "http://ctdbase.org/detail.go?type=chem&acc=D002738", + "LicenseNote": "It is to be used only for research and educational purposes. 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They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.", + "LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking", + "ANID": 12652756 + }, + { + "ReferenceNumber": 39, + "SourceName": "Nature Chemical Biology", + "SourceID": "nchembio.87-comp17", + "Description": "Nature Chemical Biology is an international monthly journal that provides a high-visibility forum for the publication of top-tier original research and commentary for the chemical biology community. 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Chemical biology combines the scientific ideas and approaches of chemistry, biology and allied disciplines to understand and manipulate biological systems with molecular precision.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/85154871", + "ANID": 8535872 + }, + { + "ReferenceNumber": 41, + "SourceName": "Nature Chemical Biology", + "SourceID": "nchembio.368-comp8", + "Description": "Nature Chemical Biology is an international monthly journal that provides a high-visibility forum for the publication of top-tier original research and commentary for the chemical biology community. 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Chemical biology combines the scientific ideas and approaches of chemistry, biology and allied disciplines to understand and manipulate biological systems with molecular precision.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/384405292", + "ANID": 8543859 + }, + { + "ReferenceNumber": 13, + "SourceName": "EU Clinical Trials Register", + "SourceID": "cid2719", + "Description": "The EU Clinical Trials Register contains information on interventional clinical trials on medicines conducted in the European Union (EU), or the European Economic Area (EEA) which started after 1 May 2004.", + "URL": "https://www.clinicaltrialsregister.eu/", + "ANID": 6479070 + }, + { + "ReferenceNumber": 14, + "SourceName": "European Chemicals Agency (ECHA)", + "SourceID": "37273", + "Name": "Chloroquine", + "Description": "The information provided here is aggregated from the \"Notified classification and labelling\" from ECHA's C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database", + "URL": "https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/37273", + "LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.", + "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice", + "ANID": 1861959 + }, + { + "ReferenceNumber": 16, + "SourceName": "European Medicines Agency (EMA)", + "SourceID": "EU/3/14/1377_1", + "Name": "Chloroquine (EU/3/14/1377)", + "Description": "The European Medicines Agency (EMA) presents information on regulatory topics of the medicinal product lifecycle in EU countries.", + "URL": "https://www.ema.europa.eu/en/medicines/human/orphan-designations/eu3141377", + "LicenseNote": "Information on the European Medicines Agency's (EMA) website is subject to a disclaimer and copyright and limited reproduction notices.", + "LicenseURL": "https://www.ema.europa.eu/en/about-us/legal-notice", + "ANID": 8856841 + }, + { + "ReferenceNumber": 17, + "SourceName": "FDA Orange Book", + "SourceID": "org_2719", + "Description": "The publication, Approved Drug Products with Therapeutic Equivalence Evaluations (the List, commonly known as the Orange Book), identifies drug products approved on the basis of safety and effectiveness by the Food and Drug Administration (FDA) under the Federal Food, Drug, and Cosmetic Act (the Act).", + "URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/approved-drug-products-therapeutic-equivalence-evaluations-orange-book", + "LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.", + "LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking", + "ANID": 398493 + }, + { + "ReferenceNumber": 54, + "SourceName": "NORMAN Suspect List Exchange", + "SourceID": "nrm_2719", + "Name": "Chloroquine", + "Description": "The NORMAN network enhances the exchange of information on emerging environmental substances, and encourages the validation and harmonisation of common measurement methods and monitoring tools so that the requirements of risk assessors and risk managers can be better met. 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Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.", + "LicenseURL": "http://www.hmdb.ca/citing", + "ANID": 15325547 + }, + { + "ReferenceNumber": 31, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "JP003161", + "Name": "CHLOROQUINE", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 3419050 + }, + { + "ReferenceNumber": 36, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "HMDB0014746_c_ms_100159", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 8428111 + }, + { + "ReferenceNumber": 43, + "SourceName": "NIST Mass Spectrometry Data Center", + "SourceID": "GC-MS #1 for WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "Name": "Chloroquine", + "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. 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The objective of the IARC is to promote international collaboration in cancer research.", + "URL": "https://monographs.iarc.who.int/list-of-classifications", + "LicenseNote": "Materials made available by IARC/WHO enjoy copyright protection under the Berne Convention for the Protection of Literature and Artistic Works, under other international conventions, and under national laws on copyright and neighbouring rights. IARC exercises copyright over its Materials to make sure that they are used in accordance with the Agency's principles. All rights are reserved.", + "LicenseURL": "https://publications.iarc.fr/Terms-Of-Use", + "ANID": 13098049 + }, + { + "ReferenceNumber": 24, + "SourceName": "MassBank Europe", + "SourceID": "WHTVZRBIWZFKQO-UHFFFAOYSA-N_1", + "Name": "CHLOROQUINE", + "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). 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MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.", + "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/master/LICENSE", + "ANID": 13698579 + }, + { + "ReferenceNumber": 28, + "SourceName": "MassBank Europe", + "SourceID": "WHTVZRBIWZFKQO-UHFFFAOYSA-N_5", + "Name": "Chloroquine", + "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.", + "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/master/LICENSE", + "ANID": 13698580 + }, + { + "ReferenceNumber": 29, + "SourceName": "MassBank Europe", + "SourceID": "WHTVZRBIWZFKQO-UHFFFAOYSA-N_6", + "Name": "Chloroquine", + "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.", + "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/master/LICENSE", + "ANID": 13698581 + }, + { + "ReferenceNumber": 30, + "SourceName": "MassBank Europe", + "SourceID": "WHTVZRBIWZFKQO-UHFFFAOYSA-N_7", + "Name": "Chloroquine", + "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.", + "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/master/LICENSE", + "ANID": 13698582 + }, + { + "ReferenceNumber": 32, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "WA000965", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 7674579 + }, + { + "ReferenceNumber": 33, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "WA000966", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 7674580 + }, + { + "ReferenceNumber": 34, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "WA000967", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 7674581 + }, + { + "ReferenceNumber": 35, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "WA000968", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 8284615 + }, + { + "ReferenceNumber": 37, + "SourceName": "MassBank of North America (MoNA)", + "SourceID": "CCMSLIB00005723985", + "Name": "Chloroquine", + "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 14 MS data records(14 experimental records) for this compound, click the link above to see all spectral information at MoNA website.", + "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=compound.metaData%3Dq%3D%27name%3D%3D%22InChIKey%22%20and%20value%3D%3D%22WHTVZRBIWZFKQO-UHFFFAOYSA-N%22%27", + "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.", + "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license", + "ANID": 9288247 + }, + { + "ReferenceNumber": 38, + "SourceName": "National Drug Code (NDC) Directory", + "SourceID": "s_CHLOROQUINE", + "Name": "CHLOROQUINE", + "Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.", + "URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory", + "LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.", + "LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking", + "ANID": 15993378 + }, + { + "ReferenceNumber": 50, + "SourceName": "NIST Mass Spectrometry Data Center", + "SourceID": "MS-MS #1 for WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "Name": "Chloroquine", + "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. 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These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.", + "URL": "http://www.nist.gov/srd/nist1a.cfm", + "LicenseURL": "https://www.nist.gov/srd/public-law", + "ANID": 282936 + }, + { + "ReferenceNumber": 52, + "SourceName": "NIST Mass Spectrometry Data Center", + "SourceID": "MS-MS #3 for WHTVZRBIWZFKQO-UHFFFAOYSA-N", + "Name": "Chloroquine", + "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. 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These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.", + "URL": "http://www.nist.gov/srd/nist1a.cfm", + "LicenseURL": "https://www.nist.gov/srd/public-law", + "ANID": 302505 + }, + { + "ReferenceNumber": 55, + "SourceName": "PubChem", + "SourceID": "covid19_l_3964", + "URL": "https://pubchem.ncbi.nlm.nih.gov", + "ANID": 9352331 + }, + { + "ReferenceNumber": 58, + "SourceName": "SpectraBase", + "SourceID": "10sStszu4T5", + "Name": "CHLOROQUINE", + "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. 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Read more: http://www.thieme-chemistry.com", + "LicenseNote": "The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.", + "LicenseURL": "https://creativecommons.org/licenses/by-nc-nd/4.0/", + "ANID": 5545898 + }, + { + "ReferenceNumber": 63, + "SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification", + "SourceID": "1462", + "Description": "The WHO Anatomical Therapeutic Chemical (ATC) Classification System is a classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.", + "URL": "https://www.whocc.no/atc/", + "LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.", + "LicenseURL": "https://www.whocc.no/copyright_disclaimer/", + "ANID": 753723 + }, + { + "ReferenceNumber": 64, + "SourceName": "WHO Model Lists of Essential Medicines", + "SourceID": "275", + "Name": "Chloroquine", + "Description": "The WHO Model Lists of Essential Medicines contains the medications considered to be most effective and safe to meet the most important needs in a health system. It has been updated every two years since 1977.", + "URL": "https://list.essentialmeds.org/medicines/275", + "LicenseNote": "WHO supports open access to the published output of its activities as a fundamental part of its mission and a public benefit to be encouraged wherever possible. WHO's open access applies to WHO CC BY-NC-SA 3.0 IGO.", + "LicenseURL": "https://www.who.int/about/who-we-are/publishing-policies/copyright", + "ANID": 13127783 + }, + { + "ReferenceNumber": 65, + "SourceName": "Wikidata", + "SourceID": "Q422438", + "Name": "Chloroquine", + "Description": "Link to the compound information in Wikidata.", + "URL": "https://www.wikidata.org/wiki/Q422438", + "LicenseNote": "CCZero", + "LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/", + "ANID": 16295616 + }, + { + "ReferenceNumber": 66, + "SourceName": "Wikipedia", + "SourceID": "wpQ422438", + "Name": "Chloroquine", + "Description": "Link to the compound information in Wikipedia.", + "URL": "https://en.wikipedia.org/wiki/Chloroquine", + "ANID": 16295617 + }, + { + "ReferenceNumber": 67, + "SourceName": "Wiley", + "SourceID": "142564", + "Description": "Literature references related to scientific contents from Wiley. 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Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html" + }, + { + "ReferenceNumber": 69, + "SourceName": "PubChem", + "SourceID": "PubChem", + "Description": "Data deposited in or computed by PubChem", + "URL": "https://pubchem.ncbi.nlm.nih.gov" + }, + { + "ReferenceNumber": 70, + "SourceName": "Medical Subject Headings (MeSH)", + "SourceID": "DescTree", + "Name": "MeSH Tree", + "Description": "MeSH (Medical Subject Headings) is the NLM controlled vocabulary thesaurus used for indexing articles for PubMed.", + "URL": "http://www.nlm.nih.gov/mesh/meshhome.html", + "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html" + }, + { + "ReferenceNumber": 71, + "SourceName": "ChEBI", + "SourceID": "OBO", + "Name": "ChEBI Ontology", + "Description": "The ChEBI Ontology is a structured classification of the entities contained within ChEBI.", + "URL": "http://www.ebi.ac.uk/chebi/userManualForward.do#ChEBI%20Ontology" + }, + { + "ReferenceNumber": 72, + "SourceName": "KEGG", + "SourceID": "br08303", + "Name": "Anatomical Therapeutic Chemical (ATC) classification", + "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.", + "URL": "http://www.genome.jp/kegg-bin/get_htext?br08303.keg", + "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license", + "LicenseURL": "https://www.kegg.jp/kegg/legal.html" + }, + { + "ReferenceNumber": 73, + "SourceName": "KEGG", + "SourceID": "br08307", + "Name": "Antiinfectives", + "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.", + "URL": "http://www.genome.jp/kegg-bin/get_htext?br08307.keg", + "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license", + "LicenseURL": "https://www.kegg.jp/kegg/legal.html" + }, + { + "ReferenceNumber": 75, + "SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification", + "SourceID": "ATCTree", + "Name": "ATC Code", + "Description": "In the World Health Organization (WHO) Anatomical Therapeutic Chemical (ATC) classification system, the active substances are divided into different groups according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.", + "URL": "https://www.whocc.no/atc_ddd_index/", + "LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.", + "LicenseURL": "https://www.whocc.no/copyright_disclaimer/" + }, + { + "ReferenceNumber": 76, + "SourceName": "UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS)", + "SourceID": "UN_GHS_tree", + "Name": "GHS Classification Tree", + "Description": "The United Nations' Globally Harmonized System of Classification and Labeling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures. It sets up criteria for the classification of chemicals for physical-chemical, health, and environmental hazards of chemical substances and mixtures and sets up standardized hazard information to facilitate global trade of chemicals. Please note that obsolete codes are added in this classification for completeness purposes, as they are still in use. Any obsolete codes are annotated as such.", + "URL": "http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html" + }, + { + "ReferenceNumber": 77, + "SourceName": "ChemIDplus", + "SourceID": "ChemIDplus_tree", + "Name": "ChemIDplus Chemical Information Classification", + "Description": "ChemIDplus is a TOXNET (TOXicology Data NETwork) databases that contain chemicals and drugs related information. It is managed by the Toxicology and Environmental Health Information Program (TEHIP) in the Division of Specialized Information Services (SIS) of the National Library of Medicine (NLM).", + "URL": "https://chem.nlm.nih.gov/chemidplus/", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html", + "IsToxnet": true + }, + { + "ReferenceNumber": 78, + "SourceName": "ChEMBL", + "SourceID": "Target Tree", + "Name": "ChEMBL Protein Target Tree", + "Description": "The ChEMBL Protein Target Tree is a structured classification of the protein target entities contained with the ChEMBL resource release version 30.", + "URL": "https://www.ebi.ac.uk/chembl/g/#browse/targets", + "LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).", + "LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html" + }, + { + "ReferenceNumber": 79, + "SourceName": "IUPHAR/BPS Guide to PHARMACOLOGY", + "SourceID": "Target Classification", + "Name": "Guide to Pharmacology Target Classification", + "Description": "An expert-driven guide to pharmacological targets and the substances that act on them", + "URL": "https://www.guidetopharmacology.org/targets.jsp", + "LicenseNote": "The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)", + "LicenseURL": "https://www.guidetopharmacology.org/about.jsp#license" + }, + { + "ReferenceNumber": 80, + "SourceName": "NORMAN Suspect List Exchange", + "SourceID": "norman_sle_tree", + "Name": "NORMAN Suspect List Exchange Classification", + "Description": "The NORMAN Suspect List Exchange (NORMAN-SLE) is a central access point for NORMAN members (and others) to find suspect lists relevant for their environmental monitoring questions.
Update: 05/03/22 09:15:02", + "URL": "https://www.norman-network.com/nds/SLE/", + "LicenseNote": "Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0", + "LicenseURL": "https://creativecommons.org/licenses/by/4.0/" + }, + { + "ReferenceNumber": 81, + "SourceName": "CCSbase", + "SourceID": "ccsbase_tree", + "Name": "CCSbase Classification", + "Description": "CCSbase is an integrated platform consisting of a comprehensive database of Collision Cross Section (CCS) measurements taken from a variety of sources and a high-quality and high-throughput CCS prediction model trained with this database using machine learning.", + "URL": "https://ccsbase.net/" + }, + { + "ReferenceNumber": 82, + "SourceName": "EPA DSSTox", + "SourceID": "dsstoxlist_tree", + "Name": "CompTox Chemicals Dashboard Chemical Lists", + "Description": "This classification lists the chemical categories from the EPA CompTox Chemicals Dashboard.
Update: 04/28/22 12:53:01", + "URL": "https://comptox.epa.gov/dashboard/chemical-lists/", + "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources" + }, + { + "ReferenceNumber": 84, + "SourceName": "International Agency for Research on Cancer (IARC)", + "SourceID": "iarc_tree", + "Name": "IARC Classification", + "Description": "The International Agency for Research on Cancer (IARC) is the specialized cancer agency of the World Health Organization. The objective of the IARC is to promote international collaboration in cancer research.", + "URL": "https://www.iarc.fr/", + "LicenseNote": "Materials made available by IARC/WHO enjoy copyright protection under the Berne Convention for the Protection of Literature and Artistic Works, under other international conventions, and under national laws on copyright and neighbouring rights. IARC exercises copyright over its Materials to make sure that they are used in accordance with the Agency's principles. All rights are reserved.", + "LicenseURL": "https://publications.iarc.fr/Terms-Of-Use" + }, + { + "ReferenceNumber": 86, + "SourceName": "NCI Thesaurus (NCIt)", + "SourceID": "NCIt", + "Name": "NCI Thesaurus Tree", + "Description": "The NCI Thesaurus (NCIt) provides reference terminology for many NCI and other systems. It covers vocabulary for clinical care, translational and basic research, and public information and administrative activities.", + "URL": "https://ncit.nci.nih.gov", + "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.", + "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse" + }, + { + "ReferenceNumber": 87, + "SourceName": "LOTUS - the natural products occurrence database", + "SourceID": "biochem", + "Name": "LOTUS Tree", + "Description": "Biological and chemical tree provided by the LOTUS (naturaL products occurrence database)", + "URL": "https://lotus.naturalproducts.net/", + "LicenseNote": "The code for LOTUS is released under the GNU General Public License v3.0.", + "LicenseURL": "https://lotus.nprod.net/" + }, + { + "ReferenceNumber": 88, + "SourceName": "Medical Subject Headings (MeSH)", + "SourceID": "68000563", + "Name": "Amebicides", + "Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.", + "URL": "https://www.ncbi.nlm.nih.gov/mesh/68000563", + "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html" + }, + { + "ReferenceNumber": 89, + "SourceName": "Medical Subject Headings (MeSH)", + "SourceID": "68018501", + "Name": "Antirheumatic Agents", + "Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.", + "URL": "https://www.ncbi.nlm.nih.gov/mesh/68018501", + "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html" + }, + { + "ReferenceNumber": 90, + "SourceName": "Medical Subject Headings (MeSH)", + "SourceID": "68000962", + "Name": "Antimalarials", + "Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.", + "URL": "https://www.ncbi.nlm.nih.gov/mesh/68000962", + "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.", + "LicenseURL": "https://www.nlm.nih.gov/copyright.html" + }, + { + "ReferenceNumber": 91, + "SourceName": "PATENTSCOPE (WIPO)", + "Name": "SID 403383553", + "Description": "The PATENTSCOPE database from WIPO includes patent and chemical structure search (with a free account) that gives access to millions of patent documents. The World Intellectual Property Organisation (WIPO) is a specialized United Nations (UN) agency headquartered in Geneva (Switzerland). Our mission is to lead the development of a balanced and effective international Intellectual Property (IP) system that enables innovation and creativity for the benefit of all. We help governments, businesses and society realize the benefits of Intellectual Property and are notably a world reference source for IP information.", + "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/403383553" + }, + { + "ReferenceNumber": 92, + "SourceName": "NCBI", + "SourceID": "LinkOut", + "Description": "LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.", + "URL": "https://www.ncbi.nlm.nih.gov/projects/linkout" + } + ] +} diff --git a/tests/test_summarize.py b/tests/test_summarize.py new file mode 100644 index 00000000..fbe12c38 --- /dev/null +++ b/tests/test_summarize.py @@ -0,0 +1,137 @@ +from deepdiff.summarize import summarize, _truncate + + +class TestSummarize: + + def test_empty_dict(self): + summary = summarize({}, max_length=50) + assert summary == "{}", "Empty dict should be summarized as {}" + + def test_empty_list(self): + summary = summarize([], max_length=50) + assert summary == "[]", "Empty list should be summarized as []" + + def test_primitive_int_truncation(self): + summary = summarize(1234567890123, max_length=10) + # The summary should be the string representation, truncated to max_length + assert isinstance(summary, str) + assert len(summary) <= 10 + + def test_primitive_string_no_truncation(self): + summary = summarize("short", max_length=50) + assert '"short"' == summary, "Short strings should not be truncated, but we are adding double quotes to it." + + def test_small_dict_summary(self): + data = {"a": "alpha", "b": "beta"} + summary = summarize(data, max_length=50) + # Should be JSON-like, start with { and end with } and not exceed the max length. + assert summary.startswith("{") and summary.endswith("}") + assert len(summary) <= 50 + + def test_long_value_truncation_in_dict(self): + data = { + "key1": "a" * 100, + "key2": "b" * 50, + "key3": "c" * 150 + } + summary = summarize(data, max_length=100) + # The summary should be under 100 characters and include ellipsis to indicate truncation. + assert len(summary) <= 100 + assert "..." in summary + + def test_nested_structure_summary1(self): + data = { + "RecordType": "CID", + "RecordNumber": 2719, + "RecordTitle": "Chloroquine", + "Section": [ + { + "TOCHeading": "Structures", + "Description": "Structure depictions and information for 2D, 3D, and crystal related", + "Section": [ + { + "TOCHeading": "2D Structure", + "Description": "A two-dimensional representation of the compound", + "DisplayControls": {"MoveToTop": True}, + "Information": [ + { + "ReferenceNumber": 69, + "Value": {"Boolean": [True]} + } + ] + }, + { + "TOCHeading": "3D Conformer", + "Description": ("A three-dimensional representation of the compound. " + "The 3D structure is not experimentally determined, but computed by PubChem. " + "More detailed information on this conformer model is described in the PubChem3D thematic series published in the Journal of Cheminformatics."), + "DisplayControls": {"MoveToTop": True}, + "Information": [ + { + "ReferenceNumber": 69, + "Description": "Chloroquine", + "Value": {"Number": [2719]} + } + ] + } + ] + }, + { + "TOCHeading": "Chemical Safety", + "Description": "Launch the Laboratory Chemical Safety Summary datasheet, and link to the safety and hazard section", + "DisplayControls": {"HideThisSection": True, "MoveToTop": True}, + "Information": [ + { + "ReferenceNumber": 69, + "Name": "Chemical Safety", + "Value": { + "StringWithMarkup": [ + { + "String": " ", + "Markup": [ + { + "Start": 0, + "Length": 1, + "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg", + "Type": "Icon", + "Extra": "Irritant" + } + ] + } + ] + } + } + ] + } + ] + } + summary = summarize(data, max_length=200) + assert len(summary) <= 200 + # Check that some expected keys are in the summary + assert '"RecordType"' in summary + assert '"RecordNumber"' in summary + assert '"RecordTitle"' in summary + assert '{"RecordType":,"RecordNumber":,"RecordTitle":","Section":[{"TOCHeading":","Description":"St...d","Section":[{"TOCHeading":","Description":"A t,"DisplayControls":{"Information":[{}]},...]},...]}' == summary + + def test_nested_structure_summary2(self, compounds): + summary = summarize(compounds, max_length=200) + assert len(summary) <= 200 + assert '{"RecordType":,"RecordNumber":,"RecordTitle":,"Section":[{"TOCHeading":,"Description":"Stru,"Section":[{"TOCHeading":"2D S,"DisplayControls":{}},...]},...],"Reference":[{},...]}' == summary + + def test_list_summary(self): + data = [1, 2, 3, 4] + summary = summarize(data, max_length=50) + # The summary should start with '[' and end with ']' + assert summary.startswith("[") and summary.endswith("]") + # When more than one element exists, expect a trailing ellipsis or indication of more elements + assert "..." not in summary + + data2 = list(range(1, 200)) + summary2 = summarize(data2) + assert "..." in summary2 + + def test_direct_truncate_function(self): + s = "abcdefghijklmnopqrstuvwxyz" + truncated = _truncate(s, 20) + assert len(truncated) == 20 + assert "..." in truncated From 661c3b9fc4a217622bd68fd51980f82a69cd1e3b Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 12:43:47 -0800 Subject: [PATCH 4/8] fixing some types based on pyright report --- deepdiff/diff.py | 2 +- deepdiff/helper.py | 37 +++++++++++++++++-------------------- deepdiff/model.py | 38 ++++++++++++++++++++------------------ deepdiff/summarize.py | 40 ++++++++++++++++++++++------------------ 4 files changed, 60 insertions(+), 57 deletions(-) diff --git a/deepdiff/diff.py b/deepdiff/diff.py index 9a8940f5..d606bf8c 100755 --- a/deepdiff/diff.py +++ b/deepdiff/diff.py @@ -18,7 +18,7 @@ from inspect import getmembers from itertools import zip_longest from functools import lru_cache -from deepdiff.helper import (strings, bytes_type, numbers, uuids, datetimes, ListItemRemovedOrAdded, notpresent, +from deepdiff.helper import (strings, bytes_type, numbers, uuids, ListItemRemovedOrAdded, notpresent, IndexedHash, unprocessed, add_to_frozen_set, basic_types, convert_item_or_items_into_set_else_none, get_type, convert_item_or_items_into_compiled_regexes_else_none, diff --git a/deepdiff/helper.py b/deepdiff/helper.py index ff6d668c..504aad86 100644 --- a/deepdiff/helper.py +++ b/deepdiff/helper.py @@ -12,10 +12,7 @@ from ast import literal_eval from decimal import Decimal, localcontext, InvalidOperation as InvalidDecimalOperation from itertools import repeat -# from orderly_set import OrderlySet as SetOrderedBase # median: 0.806 s, some tests are failing -# from orderly_set import SetOrdered as SetOrderedBase # median 1.011 s, didn't work for tests from orderly_set import StableSetEq as SetOrderedBase # median: 1.0867 s for cache test, 5.63s for all tests -# from orderly_set import OrderedSet as SetOrderedBase # median 1.1256 s for cache test, 5.63s for all tests from threading import Timer @@ -91,14 +88,14 @@ def __repr__(self): ) numpy_dtypes = set(numpy_numbers) -numpy_dtypes.add(np_bool_) +numpy_dtypes.add(np_bool_) # type: ignore numpy_dtype_str_to_type = { item.__name__: item for item in numpy_dtypes } try: - from pydantic.main import BaseModel as PydanticBaseModel + from pydantic.main import BaseModel as PydanticBaseModel # type: ignore except ImportError: PydanticBaseModel = pydantic_base_model_type @@ -367,7 +364,7 @@ def get_type(obj): Get the type of object or if it is a class, return the class itself. """ if isinstance(obj, np_ndarray): - return obj.dtype.type + return obj.dtype.type # type: ignore return obj if type(obj) is type else type(obj) @@ -409,7 +406,7 @@ def number_to_string(number, significant_digits, number_format_notation="f"): except KeyError: raise ValueError("number_format_notation got invalid value of {}. The valid values are 'f' and 'e'".format(number_format_notation)) from None - if not isinstance(number, numbers): + if not isinstance(number, numbers): # type: ignore return number elif isinstance(number, Decimal): with localcontext() as ctx: @@ -423,32 +420,31 @@ def number_to_string(number, significant_digits, number_format_notation="f"): # For example '999.99999999' will become '1000.000000' after quantize ctx.prec += 1 number = number.quantize(Decimal('0.' + '0' * significant_digits)) - elif isinstance(number, only_complex_number): + elif isinstance(number, only_complex_number): # type: ignore # Case for complex numbers. number = number.__class__( - "{real}+{imag}j".format( + "{real}+{imag}j".format( # type: ignore real=number_to_string( - number=number.real, + number=number.real, # type: ignore significant_digits=significant_digits, number_format_notation=number_format_notation ), imag=number_to_string( - number=number.imag, + number=number.imag, # type: ignore significant_digits=significant_digits, number_format_notation=number_format_notation ) - ) + ) # type: ignore ) else: - # import pytest; pytest.set_trace() - number = round(number=number, ndigits=significant_digits) + number = round(number=number, ndigits=significant_digits) # type: ignore if significant_digits == 0: number = int(number) if number == 0.0: # Special case for 0: "-0.xx" should compare equal to "0.xx" - number = abs(number) + number = abs(number) # type: ignore # Cast number to string result = (using % significant_digits).format(number) @@ -565,7 +561,8 @@ def start(self): def stop(self): duration = self._get_duration_sec() - self._timer.cancel() + if self._timer is not None: + self._timer.cancel() self.is_running = False return duration @@ -661,8 +658,8 @@ def cartesian_product_numpy(*arrays): https://stackoverflow.com/a/49445693/1497443 """ la = len(arrays) - dtype = np.result_type(*arrays) - arr = np.empty((la, *map(len, arrays)), dtype=dtype) + dtype = np.result_type(*arrays) # type: ignore + arr = np.empty((la, *map(len, arrays)), dtype=dtype) # type: ignore idx = slice(None), *repeat(None, la) for i, a in enumerate(arrays): arr[i, ...] = a[idx[:la - i]] @@ -676,7 +673,7 @@ def diff_numpy_array(A, B): By Divakar https://stackoverflow.com/a/52417967/1497443 """ - return A[~np.isin(A, B)] + return A[~np.isin(A, B)] # type: ignore PYTHON_TYPE_TO_NUMPY_TYPE = { @@ -754,7 +751,7 @@ class OpcodeTag(EnumBase): insert = 'insert' delete = 'delete' equal = 'equal' - replace = 'replace' + replace = 'replace' # type: ignore # swapped = 'swapped' # in the future we should support reporting of items swapped with each other diff --git a/deepdiff/model.py b/deepdiff/model.py index 148479c6..41dd7517 100644 --- a/deepdiff/model.py +++ b/deepdiff/model.py @@ -62,24 +62,26 @@ def mutual_add_removes_to_become_value_changes(self): This function should only be run on the Tree Result. """ - if self.get('iterable_item_added') and self.get('iterable_item_removed'): - added_paths = {i.path(): i for i in self['iterable_item_added']} - removed_paths = {i.path(): i for i in self['iterable_item_removed']} + iterable_item_added = self.get('iterable_item_added') + iterable_item_removed = self.get('iterable_item_removed') + if iterable_item_added is not None and iterable_item_removed is not None: + added_paths = {i.path(): i for i in iterable_item_added} + removed_paths = {i.path(): i for i in iterable_item_removed} mutual_paths = set(added_paths) & set(removed_paths) - if mutual_paths and 'values_changed' not in self: + if mutual_paths and 'values_changed' not in self or self['values_changed'] is None: self['values_changed'] = SetOrdered() for path in mutual_paths: level_before = removed_paths[path] - self['iterable_item_removed'].remove(level_before) + iterable_item_removed.remove(level_before) level_after = added_paths[path] - self['iterable_item_added'].remove(level_after) + iterable_item_added.remove(level_after) level_before.t2 = level_after.t2 - self['values_changed'].add(level_before) + self['values_changed'].add(level_before) # type: ignore level_before.report_type = 'values_changed' - if 'iterable_item_removed' in self and not self['iterable_item_removed']: + if 'iterable_item_removed' in self and not iterable_item_removed: del self['iterable_item_removed'] - if 'iterable_item_added' in self and not self['iterable_item_added']: + if 'iterable_item_added' in self and not iterable_item_added: del self['iterable_item_added'] def __getitem__(self, item): @@ -242,7 +244,7 @@ def _from_tree_set_item_added_or_removed(self, tree, key): item = "'%s'" % item if is_dict: if path not in set_item_info: - set_item_info[path] = set() + set_item_info[path] = set() # type: ignore set_item_info[path].add(item) else: set_item_info.add("{}[{}]".format(path, str(item))) @@ -619,12 +621,12 @@ def auto_generate_child_rel(self, klass, param, param2=None): :param param: A ChildRelationship subclass-dependent parameter describing how to get from parent to child, e.g. the key in a dict """ - if self.down.t1 is not notpresent: + if self.down.t1 is not notpresent: # type: ignore self.t1_child_rel = ChildRelationship.create( - klass=klass, parent=self.t1, child=self.down.t1, param=param) - if self.down.t2 is not notpresent: + klass=klass, parent=self.t1, child=self.down.t1, param=param) # type: ignore + if self.down.t2 is not notpresent: # type: ignore self.t2_child_rel = ChildRelationship.create( - klass=klass, parent=self.t2, child=self.down.t2, param=param if param2 is None else param2) + klass=klass, parent=self.t2, child=self.down.t2, param=param if param2 is None else param2) # type: ignore @property def all_up(self): @@ -739,15 +741,15 @@ def path(self, root="root", force=None, get_parent_too=False, use_t2=False, outp result = None break elif output_format == 'list': - result.append(next_rel.param) + result.append(next_rel.param) # type: ignore # Prepare processing next level level = level.down if output_format == 'str': if get_parent_too: - self._path[cache_key] = (parent, param, result) - output = (self._format_result(root, parent), param, self._format_result(root, result)) + self._path[cache_key] = (parent, param, result) # type: ignore + output = (self._format_result(root, parent), param, self._format_result(root, result)) # type: ignore else: self._path[cache_key] = result output = self._format_result(root, result) @@ -907,7 +909,7 @@ def stringify_param(self, force=None): elif isinstance(param, tuple): # Currently only for numpy ndarrays result = ']['.join(map(repr, param)) elif hasattr(param, '__dataclass_fields__'): - attrs_to_values = [f"{key}={value}" for key, value in [(i, getattr(param, i)) for i in param.__dataclass_fields__]] + attrs_to_values = [f"{key}={value}" for key, value in [(i, getattr(param, i)) for i in param.__dataclass_fields__]] # type: ignore result = f"{param.__class__.__name__}({','.join(attrs_to_values)})" else: candidate = repr(param) diff --git a/deepdiff/summarize.py b/deepdiff/summarize.py index af6e4b1e..1629341a 100644 --- a/deepdiff/summarize.py +++ b/deepdiff/summarize.py @@ -1,3 +1,4 @@ +from typing import Any from deepdiff.serialization import json_dumps @@ -13,22 +14,23 @@ def _truncate(s, max_len): return s[:max_len - 5] + "..." + s[-2:] class JSONNode: - def __init__(self, data, key=None): + def __init__(self, data: Any, key=None): """ Build a tree node for the JSON data. If this node is a child of a dict, key is its key name. """ self.key = key + self.children_list: list[JSONNode] = [] + self.children_dict: list[tuple[Any, JSONNode]] = [] if isinstance(data, dict): self.type = "dict" - self.children = [] # Preserve insertion order: list of (key, child) pairs. for k, v in data.items(): child = JSONNode(v, key=k) - self.children.append((k, child)) + self.children_dict.append((k, child)) elif isinstance(data, list): self.type = "list" - self.children = [JSONNode(item) for item in data] + self.children_list = [JSONNode(item) for item in data] else: self.type = "primitive" # For primitives, use json.dumps to get a compact representation. @@ -37,24 +39,25 @@ def __init__(self, data, key=None): except Exception: self.value = str(data) - def full_repr(self): + def full_repr(self) -> str: """Return the full minimized JSON representation (without trimming) for this node.""" if self.type == "primitive": return self.value elif self.type == "dict": parts = [] - for k, child in self.children: + for k, child in self.children_dict: parts.append(f'"{k}":{child.full_repr()}') return "{" + ",".join(parts) + "}" elif self.type == "list": - parts = [child.full_repr() for child in self.children] + parts = [child.full_repr() for child in self.children_list] return "[" + ",".join(parts) + "]" + return self.value def full_weight(self): """Return the character count of the full representation.""" return len(self.full_repr()) - def summarize(self, budget): + def _summarize(self, budget) -> str: """ Return a summary string for this node that fits within budget characters. The algorithm may drop whole sub-branches (for dicts) or truncate long primitives. @@ -69,16 +72,17 @@ def summarize(self, budget): return self._summarize_dict(budget) elif self.type == "list": return self._summarize_list(budget) + return self.value - def _summarize_dict(self, budget): + def _summarize_dict(self, budget) -> str: # If the dict is empty, return {} - if not self.children: + if not self.children_dict: return "{}" # Build a list of pairs with fixed parts: # Each pair: key_repr is f'"{key}":' # Also store the full (untrimmed) child representation. pairs = [] - for k, child in self.children: + for k, child in self.children_dict: key_repr = f'"{k}":' child_full = child.full_repr() pair_full = key_repr + child_full @@ -103,7 +107,7 @@ def _summarize_dict(self, budget): # Heuristic: while the representation is too long, drop the pair whose child_full is longest. while kept: # Sort kept pairs in original insertion order. - kept_sorted = sorted(kept, key=lambda p: self.children.index((p["key"], p["child"]))) + kept_sorted = sorted(kept, key=lambda p: self.children_dict.index((p["key"], p["child"]))) current_n = len(kept_sorted) fixed = sum(len(p["key_repr"]) for p in kept_sorted) + (current_n - 1) + 2 remaining_budget = budget - fixed @@ -116,7 +120,7 @@ def _summarize_dict(self, budget): child_summaries = [] for p in kept_sorted: ideal = int(remaining_budget * (len(p["child_full"]) / total_child_full)) if total_child_full > 0 else 0 - summary_child = p["child"].summarize(ideal) + summary_child = p["child"]._summarize(ideal) child_summaries.append(summary_child) candidate = "{" + ",".join([p["key_repr"] + s for p, s in zip(kept_sorted, child_summaries)]) + "}" if len(candidate) <= budget: @@ -127,17 +131,17 @@ def _summarize_dict(self, budget): # If nothing remains, return a truncated empty object. return _truncate("{}", budget) - def _summarize_list(self, budget): + def _summarize_list(self, budget) -> str: # If the list is empty, return [] - if not self.children: + if not self.children_list: return "[]" full_repr = self.full_repr() if len(full_repr) <= budget: return full_repr # For lists, show only the first element and an omission indicator if more elements exist. - suffix = ",..." if len(self.children) > 1 else "" + suffix = ",..." if len(self.children_list) > 1 else "" inner_budget = budget - 2 - len(suffix) # subtract brackets and suffix - first_summary = self.children[0].summarize(inner_budget) + first_summary = self.children_list[0]._summarize(inner_budget) candidate = "[" + first_summary + suffix + "]" if len(candidate) <= budget: return candidate @@ -150,4 +154,4 @@ def summarize(data, max_length=200): ensuring the final string is no longer than self.max_length. """ root = JSONNode(data) - return root.summarize(max_length).replace("{,", "{") + return root._summarize(max_length).replace("{,", "{") From 4f34fe2dae62c455a2ec7425772e7f1af88ca4c6 Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 13:27:22 -0800 Subject: [PATCH 5/8] adding mypy.ini but there are still way too many mypy errors --- deepdiff/__init__.py | 10 ++++----- deepdiff/deephash.py | 26 +++++++++++------------ deepdiff/delta.py | 46 ++++++++++++++++++++--------------------- deepdiff/lfucache.py | 36 ++++++++++++++++---------------- docs/faq.rst | 1 + mypy.ini | 2 ++ requirements-dev.txt | 1 + tests/test_operators.py | 10 +++++---- 8 files changed, 69 insertions(+), 63 deletions(-) create mode 100644 mypy.ini diff --git a/deepdiff/__init__.py b/deepdiff/__init__.py index 587ea86d..eb6f2725 100644 --- a/deepdiff/__init__.py +++ b/deepdiff/__init__.py @@ -7,8 +7,8 @@ logging.basicConfig(format='%(asctime)s %(levelname)8s %(message)s') -from .diff import DeepDiff -from .search import DeepSearch, grep -from .deephash import DeepHash -from .delta import Delta -from .path import extract, parse_path +from .diff import DeepDiff as DeepDiff +from .search import DeepSearch as DeepSearch, grep as grep +from .deephash import DeepHash as DeepHash +from .delta import Delta as Delta +from .path import extract as extract, parse_path as parse_path diff --git a/deepdiff/deephash.py b/deepdiff/deephash.py index 18c90bd5..98ff7d0c 100644 --- a/deepdiff/deephash.py +++ b/deepdiff/deephash.py @@ -107,8 +107,8 @@ def prepare_string_for_hashing( break except UnicodeDecodeError as er: err = er - if not encoded: - obj_decoded = obj.decode('utf-8', errors='ignore') + if not encoded and err is not None: + obj_decoded = obj.decode('utf-8', errors='ignore') # type: ignore start = max(err.start - 20, 0) start_prefix = '' if start > 0: @@ -379,7 +379,7 @@ def _skip_this(self, obj, parent): skip = False break elif self.exclude_regex_paths and any( - [exclude_regex_path.search(parent) for exclude_regex_path in self.exclude_regex_paths]): + [exclude_regex_path.search(parent) for exclude_regex_path in self.exclude_regex_paths]): # type: ignore skip = True elif self.exclude_types_tuple and isinstance(obj, self.exclude_types_tuple): skip = True @@ -540,7 +540,7 @@ def _hash(self, obj, parent, parents_ids=EMPTY_FROZENSET): elif isinstance(obj, datetime.date): result = self._prep_date(obj) - elif isinstance(obj, numbers): + elif isinstance(obj, numbers): # type: ignore result = self._prep_number(obj) elif isinstance(obj, MutableMapping): @@ -549,17 +549,17 @@ def _hash(self, obj, parent, parents_ids=EMPTY_FROZENSET): elif isinstance(obj, tuple): result, counts = self._prep_tuple(obj=obj, parent=parent, parents_ids=parents_ids) - elif (pandas and isinstance(obj, pandas.DataFrame)): - def gen(): - yield ('dtype', obj.dtypes) - yield ('index', obj.index) - yield from obj.items() # which contains (column name, series tuples) + elif (pandas and isinstance(obj, pandas.DataFrame)): # type: ignore + def gen(): # type: ignore + yield ('dtype', obj.dtypes) # type: ignore + yield ('index', obj.index) # type: ignore + yield from obj.items() # type: ignore # which contains (column name, series tuples) result, counts = self._prep_iterable(obj=gen(), parent=parent, parents_ids=parents_ids) - elif (polars and isinstance(obj, polars.DataFrame)): + elif (polars and isinstance(obj, polars.DataFrame)): # type: ignore def gen(): - yield from obj.columns - yield from list(obj.schema.items()) - yield from obj.rows() + yield from obj.columns # type: ignore + yield from list(obj.schema.items()) # type: ignore + yield from obj.rows() # type: ignore result, counts = self._prep_iterable(obj=gen(), parent=parent, parents_ids=parents_ids) elif isinstance(obj, Iterable): diff --git a/deepdiff/delta.py b/deepdiff/delta.py index 63fea815..a76593cd 100644 --- a/deepdiff/delta.py +++ b/deepdiff/delta.py @@ -171,7 +171,7 @@ def reset(self): self.post_process_paths_to_convert = dict_() def __add__(self, other): - if isinstance(other, numbers) and self._numpy_paths: + if isinstance(other, numbers) and self._numpy_paths: # type: ignore raise DeltaNumpyOperatorOverrideError(DELTA_NUMPY_OPERATOR_OVERRIDE_MSG) if self.mutate: self.root = other @@ -240,7 +240,7 @@ def _get_elem_and_compare_to_old_value( if action == GET: current_old_value = obj[elem] elif action == GETATTR: - current_old_value = getattr(obj, elem) + current_old_value = getattr(obj, elem) # type: ignore else: raise DeltaError(INVALID_ACTION_WHEN_CALLING_GET_ELEM.format(action)) except (KeyError, IndexError, AttributeError, TypeError) as e: @@ -261,7 +261,7 @@ def _get_elem_and_compare_to_old_value( else: obj[elem] = _forced_old_value elif action == GETATTR: - setattr(obj, elem, _forced_old_value) + setattr(obj, elem, _forced_old_value) # type: ignore return _forced_old_value current_old_value = not_found if isinstance(path_for_err_reporting, (list, tuple)): @@ -289,7 +289,7 @@ def _simple_set_elem_value(self, obj, path_for_err_reporting, elem=None, value=N else: self._raise_or_log(ELEM_NOT_FOUND_TO_ADD_MSG.format(elem, path_for_err_reporting)) elif action == GETATTR: - setattr(obj, elem, value) + setattr(obj, elem, value) # type: ignore else: raise DeltaError(INVALID_ACTION_WHEN_CALLING_SIMPLE_SET_ELEM.format(action)) except (KeyError, IndexError, AttributeError, TypeError) as e: @@ -457,8 +457,8 @@ def _do_item_added(self, items, sort=True, insert=False): continue # pragma: no cover. Due to cPython peephole optimizer, this line doesn't get covered. https://github.com/nedbat/coveragepy/issues/198 # Insert is only true for iterables, make sure it is a valid index. - if(insert and elem < len(obj)): - obj.insert(elem, None) + if(insert and elem < len(obj)): # type: ignore + obj.insert(elem, None) # type: ignore self._set_new_value(parent, parent_to_obj_elem, parent_to_obj_action, obj, elements, path, elem, action, new_value) @@ -482,7 +482,7 @@ def _do_post_process(self): def _do_pre_process(self): if self._numpy_paths and ('iterable_item_added' in self.diff or 'iterable_item_removed' in self.diff): preprocess_paths = dict_() - for path, type_ in self._numpy_paths.items(): + for path, type_ in self._numpy_paths.items(): # type: ignore preprocess_paths[path] = {'old_type': np_ndarray, 'new_type': list} try: type_ = numpy_dtype_string_to_type(type_) @@ -507,7 +507,7 @@ def _get_elements_and_details(self, path): parent_to_obj_elem, parent_to_obj_action = elements[-2] obj = self._get_elem_and_compare_to_old_value( obj=parent, path_for_err_reporting=path, expected_old_value=None, - elem=parent_to_obj_elem, action=parent_to_obj_action, next_element=next2_element) + elem=parent_to_obj_elem, action=parent_to_obj_action, next_element=next2_element) # type: ignore else: # parent = self # obj = self.root @@ -516,7 +516,7 @@ def _get_elements_and_details(self, path): parent = parent_to_obj_elem = parent_to_obj_action = None obj = self # obj = self.get_nested_obj(obj=self, elements=elements[:-1]) - elem, action = elements[-1] + elem, action = elements[-1] # type: ignore except Exception as e: self._raise_or_log(UNABLE_TO_GET_ITEM_MSG.format(path, e)) return None @@ -550,7 +550,7 @@ def _do_values_or_type_changed(self, changes, is_type_change=False, verify_chang else: new_value = new_type(current_old_value) except Exception as e: - self._raise_or_log(TYPE_CHANGE_FAIL_MSG.format(obj[elem], value.get('new_type', 'unknown'), e)) + self._raise_or_log(TYPE_CHANGE_FAIL_MSG.format(obj[elem], value.get('new_type', 'unknown'), e)) # type: ignore continue else: new_value = value['new_value'] @@ -582,7 +582,7 @@ def _do_item_removed(self, items): current_old_value = not_found try: if action == GET: - current_old_value = obj[elem] + current_old_value = obj[elem] # type: ignore elif action == GETATTR: current_old_value = getattr(obj, elem) look_for_expected_old_value = current_old_value != expected_old_value @@ -644,15 +644,15 @@ def _do_iterable_opcodes(self): transformed.extend(opcode.new_values) elif opcode.tag == 'equal': # Items are the same in both lists, so we add them to the result - transformed.extend(obj[opcode.t1_from_index:opcode.t1_to_index]) + transformed.extend(obj[opcode.t1_from_index:opcode.t1_to_index]) # type: ignore if is_obj_tuple: - obj = tuple(obj) + obj = tuple(obj) # type: ignore # Making sure that the object is re-instated inside the parent especially if it was immutable # and we had to turn it into a mutable one. In such cases the object has a new id. self._simple_set_elem_value(obj=parent, path_for_err_reporting=path, elem=parent_to_obj_elem, value=obj, action=parent_to_obj_action) else: - obj[:] = transformed + obj[:] = transformed # type: ignore @@ -745,7 +745,7 @@ def _do_ignore_order(self): fixed_indexes = self.diff.get('iterable_items_added_at_indexes', dict_()) remove_indexes = self.diff.get('iterable_items_removed_at_indexes', dict_()) paths = SetOrdered(fixed_indexes.keys()) | SetOrdered(remove_indexes.keys()) - for path in paths: + for path in paths: # type: ignore # In the case of ignore_order reports, we are pointing to the container object. # Thus we add a [0] to the elements so we can get the required objects and discard what we don't need. elem_and_details = self._get_elements_and_details("{}[0]".format(path)) @@ -1021,7 +1021,7 @@ def _from_flat_dicts(flat_dict_list): result['_iterable_opcodes'][path_str] = [] result['_iterable_opcodes'][path_str].append( Opcode( - tag=FLAT_DATA_ACTION_TO_OPCODE_TAG[action], + tag=FLAT_DATA_ACTION_TO_OPCODE_TAG[action], # type: ignore t1_from_index=flat_dict.get('t1_from_index'), t1_to_index=flat_dict.get('t1_to_index'), t2_from_index=flat_dict.get('t2_from_index'), @@ -1091,7 +1091,7 @@ def to_flat_dicts(self, include_action_in_path=False, report_type_changes=True) """ return [ i._asdict() for i in self.to_flat_rows(include_action_in_path=False, report_type_changes=True) - ] + ] # type: ignore def to_flat_rows(self, include_action_in_path=False, report_type_changes=True) -> List[FlatDeltaRow]: """ @@ -1141,13 +1141,13 @@ def to_flat_rows(self, include_action_in_path=False, report_type_changes=True) - for index, value in index_to_value.items(): path2 = path.copy() if include_action_in_path: - path2.append((index, 'GET')) + path2.append((index, 'GET')) # type: ignore else: path2.append(index) if report_type_changes: - row = FlatDeltaRow(path=path2, value=value, action=new_action, type=type(value)) + row = FlatDeltaRow(path=path2, value=value, action=new_action, type=type(value)) # type: ignore else: - row = FlatDeltaRow(path=path2, value=value, action=new_action) + row = FlatDeltaRow(path=path2, value=value, action=new_action) # type: ignore result.append(row) elif action in {'set_item_added', 'set_item_removed'}: for path, values in info.items(): @@ -1167,15 +1167,15 @@ def to_flat_rows(self, include_action_in_path=False, report_type_changes=True) - value = value[new_key] elif isinstance(value, (list, tuple)) and len(value) == 1: value = value[0] - path.append(0) + path.append(0) # type: ignore action = 'iterable_item_added' elif isinstance(value, set) and len(value) == 1: value = value.pop() action = 'set_item_added' if report_type_changes: - row = FlatDeltaRow(path=path, value=value, action=action, type=type(value)) + row = FlatDeltaRow(path=path, value=value, action=action, type=type(value)) # type: ignore else: - row = FlatDeltaRow(path=path, value=value, action=action) + row = FlatDeltaRow(path=path, value=value, action=action) # type: ignore result.append(row) elif action in { 'dictionary_item_removed', 'iterable_item_added', diff --git a/deepdiff/lfucache.py b/deepdiff/lfucache.py index 3aa168a2..75d1708e 100644 --- a/deepdiff/lfucache.py +++ b/deepdiff/lfucache.py @@ -23,17 +23,17 @@ def __init__(self, key, report_type, value, freq_node, pre, nxt): self.nxt = nxt # next CacheNode def free_myself(self): - if self.freq_node.cache_head == self.freq_node.cache_tail: - self.freq_node.cache_head = self.freq_node.cache_tail = None - elif self.freq_node.cache_head == self: - self.nxt.pre = None - self.freq_node.cache_head = self.nxt - elif self.freq_node.cache_tail == self: - self.pre.nxt = None - self.freq_node.cache_tail = self.pre + if self.freq_node.cache_head == self.freq_node.cache_tail: # type: ignore + self.freq_node.cache_head = self.freq_node.cache_tail = None # type: ignore + elif self.freq_node.cache_head == self: # type: ignore + self.nxt.pre = None # type: ignore + self.freq_node.cache_head = self.nxt # type: ignore + elif self.freq_node.cache_tail == self: # type: ignore + self.pre.nxt = None # type: ignore + self.freq_node.cache_tail = self.pre # type: ignore else: - self.pre.nxt = self.nxt - self.nxt.pre = self.pre + self.pre.nxt = self.nxt # type: ignore + self.nxt.pre = self.pre # type: ignore self.pre = None self.nxt = None @@ -77,8 +77,8 @@ def pop_head_cache(self): return cache_head else: cache_head = self.cache_head - self.cache_head.nxt.pre = None - self.cache_head = self.cache_head.nxt + self.cache_head.nxt.pre = None # type: ignore + self.cache_head = self.cache_head.nxt # type: ignore return cache_head def append_cache_to_tail(self, cache_node): @@ -89,7 +89,7 @@ def append_cache_to_tail(self, cache_node): else: cache_node.pre = self.cache_tail cache_node.nxt = None - self.cache_tail.nxt = cache_node + self.cache_tail.nxt = cache_node # type: ignore self.cache_tail = cache_node def insert_after_me(self, freq_node): @@ -172,12 +172,12 @@ def move_forward(self, cache_node, freq_node): def dump_cache(self): head_freq_node = self.freq_link_head - self.cache.pop(head_freq_node.cache_head.key) - head_freq_node.pop_head_cache() + self.cache.pop(head_freq_node.cache_head.key) # type: ignore + head_freq_node.pop_head_cache() # type: ignore - if head_freq_node.count_caches() == 0: - self.freq_link_head = head_freq_node.nxt - head_freq_node.remove() + if head_freq_node.count_caches() == 0: # type: ignore + self.freq_link_head = head_freq_node.nxt # type: ignore + head_freq_node.remove() # type: ignore def create_cache_node(self, key, report_type, value): cache_node = CacheNode( diff --git a/docs/faq.rst b/docs/faq.rst index ce97948b..497ae2a1 100644 --- a/docs/faq.rst +++ b/docs/faq.rst @@ -149,6 +149,7 @@ Or use the tree view so you can use path(output_format='list'): Q: Why my datetimes are reported in UTC? +---------------------------------------- **Answer** diff --git a/mypy.ini b/mypy.ini new file mode 100644 index 00000000..07a7f365 --- /dev/null +++ b/mypy.ini @@ -0,0 +1,2 @@ +[mypy] +warn_unused_ignores = False diff --git a/requirements-dev.txt b/requirements-dev.txt index 495ebc9a..a0a5ea26 100644 --- a/requirements-dev.txt +++ b/requirements-dev.txt @@ -19,3 +19,4 @@ pytest-benchmark==5.1.0 pandas==2.2.3 polars==1.21.0 setuptools==75.8.0 +types-setuptools==75.8.0 diff --git a/tests/test_operators.py b/tests/test_operators.py index d3ba07b2..ddc91a00 100644 --- a/tests/test_operators.py +++ b/tests/test_operators.py @@ -31,7 +31,7 @@ def _l2_distance(self, c1, c2): (c1["x"] - c2["x"]) ** 2 + (c1["y"] - c2["y"]) ** 2 ) - def give_up_diffing(self, level, diff_instance): + def give_up_diffing(self, level, diff_instance) -> bool: l2_distance = self._l2_distance(level.t1, level.t2) if l2_distance > self.distance_threshold: diff_instance.custom_report_result('distance_too_far', level, { @@ -77,7 +77,7 @@ def _l2_distance(self, c1, c2): (c1["x"] - c2["x"]) ** 2 + (c1["y"] - c2["y"]) ** 2 ) - def give_up_diffing(self, level, diff_instance): + def give_up_diffing(self, level, diff_instance) -> bool: l2_distance = self._l2_distance(level.t1, level.t2) if l2_distance > self.distance_threshold: diff_instance.custom_report_result('distance_too_far', level, { @@ -122,7 +122,7 @@ class ExpectChangeOperator(BaseOperator): def __init__(self, regex_paths): super().__init__(regex_paths) - def give_up_diffing(self, level, diff_instance): + def give_up_diffing(self, level, diff_instance) -> bool: if level.t1 == level.t2: diff_instance.custom_report_result('unexpected:still', level, { "old": level.t1, @@ -154,9 +154,10 @@ def __repr__(self): class ListMatchOperator(BaseOperator): - def give_up_diffing(self, level, diff_instance): + def give_up_diffing(self, level, diff_instance) -> bool: if set(level.t1.dict['list']) == set(level.t2.dict['list']): return True + return False ddiff = DeepDiff(custom1, custom2, custom_operators=[ ListMatchOperator(types=[CustomClass]) @@ -260,6 +261,7 @@ def __init__(self, tolerance, types): def match(self, level) -> bool: if type(level.t1) in self.types: return True + return False def give_up_diffing(self, level, diff_instance) -> bool: relative = abs(abs(level.t1 - level.t2) / level.t1) From b4b29d5d0e648cebd1f4137528a1a0713ac5d453 Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 15:48:33 -0800 Subject: [PATCH 6/8] fixing how we use to_json for commands --- .gitignore | 2 ++ deepdiff/commands.py | 5 +---- deepdiff/serialization.py | 27 ++++++++++++++++++++------- 3 files changed, 23 insertions(+), 11 deletions(-) diff --git a/.gitignore b/.gitignore index 5d5e131c..11f27848 100644 --- a/.gitignore +++ b/.gitignore @@ -69,3 +69,5 @@ temp* # env file .env + +pyrightconfig.json diff --git a/deepdiff/commands.py b/deepdiff/commands.py index e878bf2b..1859e35a 100644 --- a/deepdiff/commands.py +++ b/deepdiff/commands.py @@ -112,10 +112,7 @@ def diff( sys.stdout.buffer.write(delta.dumps()) else: try: - if orjson: - print(diff.to_json(option=orjson.OPT_INDENT_2)) - else: - print(diff.to_json(indent=2)) + print(diff.to_json(indent=2)) except Exception: pprint(diff, indent=2) diff --git a/deepdiff/serialization.py b/deepdiff/serialization.py index 6bbd2a04..7861f652 100644 --- a/deepdiff/serialization.py +++ b/deepdiff/serialization.py @@ -537,7 +537,7 @@ def _save_content(content, path, file_type, keep_backup=True): if file_type == 'json': with open(path, 'w') as the_file: content = json_dumps(content) - the_file.write(content) + the_file.write(content) # type: ignore elif file_type in {'yaml', 'yml'}: try: import yaml @@ -557,7 +557,7 @@ def _save_content(content, path, file_type, keep_backup=True): content = pickle_dump(content, file_obj=the_file) elif file_type in {'csv', 'tsv'}: try: - import clevercsv + import clevercsv # type: ignore dict_writer = clevercsv.DictWriter except ImportError: # pragma: no cover. import csv @@ -642,7 +642,13 @@ def object_hook(self, obj): return obj -def json_dumps(item, default_mapping=None, force_use_builtin_json: bool=False, **kwargs): +def json_dumps( + item, + default_mapping=None, + force_use_builtin_json: bool = False, + return_bytes: bool = False, + **kwargs, +) -> str | bytes: """ Dump json with extra details that are not normally json serializable @@ -655,22 +661,29 @@ def json_dumps(item, default_mapping=None, force_use_builtin_json: bool=False, * """ if orjson and not force_use_builtin_json: indent = kwargs.pop('indent', None) + kwargs['option'] = orjson.OPT_NON_STR_KEYS | orjson.OPT_SERIALIZE_NUMPY if indent: - kwargs['option'] = orjson.OPT_INDENT_2 + kwargs['option'] |= orjson.OPT_INDENT_2 if 'sort_keys' in kwargs: raise TypeError( "orjson does not accept the sort_keys parameter. " "If you need to pass sort_keys, set force_use_builtin_json=True " "to use Python's built-in json library instead of orjson.") - return orjson.dumps( + result = orjson.dumps( item, default=json_convertor_default(default_mapping=default_mapping), - **kwargs).decode(encoding='utf-8') + **kwargs) + if return_bytes: + return result + return result.decode(encoding='utf-8') else: - return json.dumps( + result = json.dumps( item, default=json_convertor_default(default_mapping=default_mapping), **kwargs) + if return_bytes: + return result.encode(encoding='utf-8') + return result json_loads = partial(json.loads, cls=JSONDecoder) From c05467c51dcd4f6defae286bd61b6611a8b7703b Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 15:50:52 -0800 Subject: [PATCH 7/8] updating docs --- CHANGELOG.md | 4 ++++ README.md | 5 +++++ docs/changelog.rst | 4 ++++ docs/index.rst | 7 +++++++ 4 files changed, 20 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 2ecac9a3..8da4f50f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,9 @@ # DeepDiff Change log +- v8-3-0 + - Fixed some static typing issues + - Added the summarize module for better repr of nested values + - v8-2-0 - Small optimizations so we don't load functions that are not needed - Updated the minimum version of Orderly-set diff --git a/README.md b/README.md index f06b0a32..badecac2 100644 --- a/README.md +++ b/README.md @@ -23,6 +23,11 @@ Tested on Python 3.8+ and PyPy3. Please check the [ChangeLog](CHANGELOG.md) file for the detailed information. +DeepDiff 8-3-0 + +- Fixed some static typing issues +- Added the summarize module for better repr of nested values + DeepDiff 8-2-0 - Small optimizations so we don't load functions that are not needed diff --git a/docs/changelog.rst b/docs/changelog.rst index efaf4cbb..a3eac532 100644 --- a/docs/changelog.rst +++ b/docs/changelog.rst @@ -5,6 +5,10 @@ Changelog DeepDiff Changelog +- v8-3-0 + - Fixed some static typing issues + - Added the summarize module for better repr of nested values + - v8-2-0 - Small optimizations so we don't load functions that are not needed diff --git a/docs/index.rst b/docs/index.rst index e5c45c8c..8ca5d347 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -31,6 +31,13 @@ The DeepDiff library includes the following modules: What Is New *********** +DeepDiff 8-3-0 +-------------- + + - Fixed some static typing issues + - Added the summarize module for better repr of nested values + + DeepDiff 8-2-0 -------------- From 75c0cd9482600928a40d67939ec4635b7b0e77e9 Mon Sep 17 00:00:00 2001 From: Sep Dehpour Date: Wed, 5 Mar 2025 15:57:41 -0800 Subject: [PATCH 8/8] fixing the typing --- deepdiff/serialization.py | 38 +++++++++++++++++++------------------- 1 file changed, 19 insertions(+), 19 deletions(-) diff --git a/deepdiff/serialization.py b/deepdiff/serialization.py index 7861f652..5dfc2870 100644 --- a/deepdiff/serialization.py +++ b/deepdiff/serialization.py @@ -136,7 +136,7 @@ def to_json_pickle(self): """ try: import jsonpickle - copied = self.copy() + copied = self.copy() # type: ignore return jsonpickle.encode(copied) except ImportError: # pragma: no cover. Json pickle is getting deprecated. logger.error('jsonpickle library needs to be installed in order to run to_json_pickle') # pragma: no cover. Json pickle is getting deprecated. @@ -210,8 +210,8 @@ def to_dict(self, view_override=None): The options are the text or tree. """ - view = view_override if view_override else self.view - return dict(self._get_view_results(view)) + view = view_override if view_override else self.view # type: ignore + return dict(self._get_view_results(view)) # type: ignore def _to_delta_dict(self, directed=True, report_repetition_required=True, always_include_values=False): """ @@ -236,12 +236,12 @@ def _to_delta_dict(self, directed=True, report_repetition_required=True, always_ was set to be True in the diff object. """ - if self.group_by is not None: + if self.group_by is not None: # type: ignore raise ValueError(DELTA_ERROR_WHEN_GROUP_BY) if directed and not always_include_values: - _iterable_opcodes = {} - for path, op_codes in self._iterable_opcodes.items(): + _iterable_opcodes = {} # type: ignore + for path, op_codes in self._iterable_opcodes.items(): # type: ignore _iterable_opcodes[path] = [] for op_code in op_codes: new_op_code = Opcode( @@ -254,29 +254,29 @@ def _to_delta_dict(self, directed=True, report_repetition_required=True, always_ ) _iterable_opcodes[path].append(new_op_code) else: - _iterable_opcodes = self._iterable_opcodes + _iterable_opcodes = self._iterable_opcodes # type: ignore result = DeltaResult( - tree_results=self.tree, - ignore_order=self.ignore_order, + tree_results=self.tree, # type: ignore + ignore_order=self.ignore_order, # type: ignore always_include_values=always_include_values, _iterable_opcodes=_iterable_opcodes, ) result.remove_empty_keys() - if report_repetition_required and self.ignore_order and not self.report_repetition: + if report_repetition_required and self.ignore_order and not self.report_repetition: # type: ignore raise ValueError(DELTA_IGNORE_ORDER_NEEDS_REPETITION_REPORT) if directed: for report_key, report_value in result.items(): if isinstance(report_value, Mapping): for path, value in report_value.items(): if isinstance(value, Mapping) and 'old_value' in value: - del value['old_value'] - if self._numpy_paths: + del value['old_value'] # type: ignore + if self._numpy_paths: # type: ignore # Note that keys that start with '_' are considered internal to DeepDiff # and will be omitted when counting distance. (Look inside the distance module.) - result['_numpy_paths'] = self._numpy_paths + result['_numpy_paths'] = self._numpy_paths # type: ignore - if self.iterable_compare_func: + if self.iterable_compare_func: # type: ignore result['_iterable_compare_func_was_used'] = True return deepcopy(dict(result)) @@ -299,9 +299,9 @@ def pretty(self, prefix: Optional[Union[str, Callable]]=None): result = [] if prefix is None: prefix = '' - keys = sorted(self.tree.keys()) # sorting keys to guarantee constant order across python versions. + keys = sorted(self.tree.keys()) # type: ignore # sorting keys to guarantee constant order across python versions. for key in keys: - for item_key in self.tree[key]: + for item_key in self.tree[key]: # type: ignore result += [pretty_print_diff(item_key)] if callable(prefix): @@ -486,7 +486,7 @@ def load_path_content(path, file_type=None): content = pickle_load(content) elif file_type in {'csv', 'tsv'}: try: - import clevercsv + import clevercsv # type: ignore content = clevercsv.read_dicts(path) except ImportError: # pragma: no cover. import csv @@ -633,7 +633,7 @@ class JSONDecoder(json.JSONDecoder): def __init__(self, *args, **kwargs): json.JSONDecoder.__init__(self, object_hook=self.object_hook, *args, **kwargs) - def object_hook(self, obj): + def object_hook(self, obj): # type: ignore if 'old_type' in obj and 'new_type' in obj: for type_key in ('old_type', 'new_type'): type_str = obj[type_key] @@ -648,7 +648,7 @@ def json_dumps( force_use_builtin_json: bool = False, return_bytes: bool = False, **kwargs, -) -> str | bytes: +) -> Union[str, bytes]: """ Dump json with extra details that are not normally json serializable