CLOPIDOGREL


Synonyms	Clopidogrel Clopidogrel 1a-pharma Clopidogrel acino Clopidogrel apotex Clopidogrel benzenesulfonate Clopidogrel besilate Clopidogrel besylate Clopidogrel hexal Clopidogrel sandoz Clopidogrel-ratiopharm Grepid Iscover NSC-758613 Plavix R 130964
Status
Molecule Category	Free-form
ATC	B01AC04
UNII	A74586SNO7
EPA CompTox	DTXSID6022848


InChI Key	GKTWGGQPFAXNFI-HNNXBMFYSA-N
Smiles	COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
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

Property Name	Value
Molecular Formula	C16H16ClNO2S
Molecular Weight	321.83
AlogP	3.67
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6	-	-	-	500-500	44
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19	-	-	-	-	10
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	-	-	-	35

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	50-140	-	500-500	10-44
Oryctolagus cuniculus	-	-	-	-	3.5-94.5

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovenia

Resources	Reference
ChEBI	37941
ChEMBL	CHEMBL1771
DrugBank	DB00758
DrugCentral	708
FDA SRS	A74586SNO7
Human Metabolome Database	HMDB0005011
Guide to Pharmacology	7150
KEGG	D07729
PDB	CGE
PharmGKB	PA449053
PubChem	60606
SureChEMBL	SCHEMBL4769
ZINC	ZINC000034781704

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CLOPIDOGREL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

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