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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1771
CHEMBL1771
Compound Name CLOPIDOGREL
ChEMBL Synonyms CLOPIDOGREL BISULFATE | SR 25990C | PLAVIX | GREPID | ISCOVER | CLOPIDOGREL
Max Phase 4 (Approved)
Trade Names PLAVIX | CLOPIDOGREL BISULFATE | ISCOVER | GREPID
Molecular Formula C16H16ClNO2S

Additional synonyms for CHEMBL1771 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl
Standard InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18- ...
Download InChI
Standard InChI Key GKTWGGQPFAXNFI-HNNXBMFYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1771

Molecule Features

CHEMBL1771 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Purinergic receptor P2Y12 antagonist Purinergic receptor P2Y12 DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AsthmaD001249EFO:0000270asthma2ClinicalTrials
Heart Defects, CongenitalD0063303ClinicalTrials
Ischemic Attack, TransientD002546EFO:0003764transient ischemic attack3ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
Brain InfarctionD020520EFO:0004277brain infarction3ClinicalTrials
HIV InfectionsD015658EFO:0000180HIV-1 infection2ClinicalTrials
Intracranial AneurysmD002532EFO:0003870brain aneurysm3ClinicalTrials
Angina, UnstableD000789EFO:1000985intermediate coronary syndrome4DailyMed
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia1ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Intermittent ClaudicationD007383EFO:0003876intermittent vascular claudication2ClinicalTrials
Heart FailureD006333EFO:0003144heart failure3ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus1ClinicalTrials
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome4DailyMed
DailyMed
ClinicalTrials
Angina, StableD060050EFO:0003913angina pectoris3ClinicalTrials
AtherosclerosisD050197EFO:0003914atherosclerosis3ClinicalTrials
Carotid StenosisD016893EFO:0002615internal carotid artery stenosis3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials
Intracranial ArteriosclerosisD002537EFO:1000860cerebral atherosclerosis3ClinicalTrials
IschemiaD007511EFO:0000556ischemia4ClinicalTrials
DailyMed
Peripheral Vascular DiseasesD016491EFO:0003875peripheral vascular disease2ClinicalTrials
Venous ThrombosisD020246HP:0004936Venous thrombosis3ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm2ClinicalTrials
Aortic Valve StenosisD001024EFO:0000266aortic stenosis3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
ClinicalTrials
Peripheral Arterial DiseaseD058729EFO:0004265peripheral arterial disease4ClinicalTrials
DailyMed
DailyMed
Polycythemia VeraD011087EFO:0002429polycythemia vera2ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials
StrokeD020521EFO:0000712stroke4DailyMed
DailyMed
ClinicalTrials
Vascular DiseasesD014652EFO:0004264vascular disease3ClinicalTrials
Coronary DiseaseD003327EFO:0001645coronary heart disease3ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
Hypertension, PulmonaryD006976EFO:0001361pulmonary hypertension2ClinicalTrials
Arterial Occlusive DiseasesD0011573ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease1ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction4ClinicalTrials
ClinicalTrials
DailyMed
DailyMed
PregnancyD011247EFO:0002950pregnancy2ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOPIDOGREL
The Cochrane Collaboration CLOPIDOGREL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
321.8 321.059 3.67 3 29.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.56 2.58 2.58 2 21 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL1771. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC04 - clopidogrel

ChemSpider ChemSpider:GKTWGGQPFAXNFI-HNNXBMFYSA-N
DailyMed clopidogrel bisulfate
PubChem SID: 49666065 SID: 49666423
Wikipedia Clopidogrel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1771



ACToR 113665-84-2
BindingDB 50318910 50397662
Brenda 161060
ChEBI 37941
DrugBank DB00758
DrugCentral 708
eMolecules 2735330
EPA CompTox Dashboard DTXSID6022848
FDA SRS A74586SNO7
Guide to Pharmacology 7150
Human Metabolome Database HMDB0005011
IBM Patent System DFFD76552974AE5FCBE9B69B1A9EB262
LINCS LSM-5415
Mcule MCULE-9061369538
MolPort MolPort-002-885-817
NIH Clinical Collection SAM002589956
Nikkaji J691.232J
PDBe CGE
PharmGKB PA449053
PubChem 60606
PubChem: Thomson Pharma 14899359 14923888
SureChEMBL SCHEMBL4769
ZINC ZINC000034781704

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GKTWGGQPFAXNFI-HNNXBMFYSA-N spacer
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