clopidogrel

Ligand id: 7150

Name: clopidogrel

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 57.78
Molecular weight 321.06
XLogP 3.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
Is prodrug? Yes
Active form clopidogrel (active metabolite)
IUPAC Name
methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate
International Nonproprietary Names
INN number INN
5908 clopidogrel
Synonyms
Plavix® | SR-25990C
Database Links
CAS Registry No. 113665-84-2
ChEBI CHEBI:37941
ChEMBL Ligand CHEMBL1771
DrugBank Ligand DB00758
PubChem CID 60606
RCSB PDB Ligand CGE
Search Google for chemical match using the InChIKey GKTWGGQPFAXNFI-HNNXBMFYSA-N
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Search PubMed clinical trials clopidogrel
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Search UniChem for chemical match using the InChIKey GKTWGGQPFAXNFI-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone GKTWGGQPFAXNFI
Wikipedia clopidogrel
Comments
Clopidogrel is a prodrug converted by liver CYP450 via 2-oxo-clopidogrel to an active metabolite, listed in GtoPdb as clopidogrel (active metabolite) [2]. Marketed formulations may contain clopidogrel bisulfate (PubChem CID 115366).