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Substrate Report for: 2-oxo-clopidogrel

2-oxo-clopidogrel is the product of hydrolysis of Vicagrel by CES2 and AADAC and is the substrate of hepathic CES1



General
Type: Not A/B H target, Drug, Pro-Drug, Pyridine, Acetate
Chemical_Nomenclature: methyl 2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
Canonical SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChI: InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3
InChIKey: JBSAZVIMJUOBNB-UHFFFAOYSA-N JBSAZVIMJUOBNB-WUJWULDRSA-N
Other name(s): SCHEMBL2058211 ; MolPort-003-849-747 ; AKOS015924434 ; F9994-0599 ; UNII-0IX303KU54 ; Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate ; clopidogrel thiolactone
MW: 337.81
Formula: C16H16ClNO3S
CAS_number: 1147350-75-1
PubChem: 13748464
IUPHAR:

Target families
2-oxo-clopidogrel ligand of proteins in family: Carb_B_Chordata
No structure

Protein target
Enzyme: human-CES1

References
Search PubMed for references concerning: 2-oxo-clopidogrel
    Title: Arylacetamide Deacetylase Is Involved in Vicagrel Bioactivation in Humans
    Jiang J, Chen X, Zhong D
    Ref: Front Pharmacol, 8:846, 2017 : PubMed