General Information of the Compound
Compound ID
CP0066112
Compound Name
CLOPIDOGREL
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Synonyms
(+)-(S)-Clopidogrel
(+)-Clopidogrel
(S)-Clopidogrel
113665-84-2
A74586SNO7
CHEBI:37941
CLOPIDOGREL SULFATE
CPD000550475
Clopidogrel
Clopidogrel (TN)
Clopidogrel (captisol-enabled)
Clopidogrel (captisol-enabled), The Medicines Co
Clopidogrel (captisol-enabled, cardiovascular disease), Cydex
Clopidogrel (captisol-enabled, cardiovascular disease), Prism Pharmaceuticals
Clopidogrel Acino
Clopidogrel BMS
Clopidogrel Hexal
Clopidogrel [INN:BAN]
Clopidogrelum
GKTWGGQPFAXNFI-HNNXBMFYSA-N
HSDB 7430
PM-103
Plavix
Plavix (TN)
SR-25990C
Thrombo
UNII-A74586SNO7
Zyllt
clopidogrel
methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate
methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate
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Structure
Formula
C16H16ClNO2S
Molecular Weight
321.829
Canonical SMILES
COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl
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InChI
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
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InChIKey
GKTWGGQPFAXNFI-HNNXBMFYSA-N
CAS
113665-84-2
Physicochemical Property
logP
3.6739
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60606
SID: 14923888
ChEMBL ID
CHEMBL1771
DrugBank ID
DB00758
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 25118.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02186, Liver carboxylesterase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 55700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Clopidogrel )
Drug Name Clopidogrel
Company Prism Pharmaceuticals Inc
Indication
Thrombosis
Approved
Target(s)
P2Y purinoceptor 12 (P2RY12)
Antagonist
Drug 2 ( Clopidogrel )
Drug Name Clopidogrel
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 2