Details
Stereochemistry | EPIMERIC |
Molecular Formula | C16H16ClNO3S.H2O4S |
Molecular Weight | 435.9 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.COC(=O)[C@@H](N1CCC2SC(=O)C=C2C1)C3=CC=CC=C3Cl
InChI
InChIKey=UNHVSUGSGIXYQF-LDCKTULKSA-N
InChI=1S/C16H16ClNO3S.H2O4S/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;1-5(2,3)4/h2-5,8,13,15H,6-7,9H2,1H3;(H2,1,2,3,4)/t13?,15-;/m0./s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/19122335
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19122335
Clopidogrel is first activated to its thiolactone intermediate, 2-oxo-clopidogrel via CYP3A oxidation. 2-oxo-clopidogrel is a key intermediate metabolite from which the active metabolite is formed. 2-oxo-clopidogrel inhibited the activity of CYP2C19 and moderately activity of CYP2B6.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3622 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19122335 |
0.995 µM [IC50] | ||
Target ID: CHEMBL4729 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19122335 |
1.3 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12386137
2-oxo-clopidogrel (SR121682) is the essential key intermediate metabolite from which the active metabolite is formed. This was approved using enzymatic assay with human liver microsomes. SR121682 was added at a final concentration of 0.1 mM, and the reaction was initiated with 1 mM NADPH
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R98IO5OIG5
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72206114
Created by
admin on Sat Dec 16 14:36:19 GMT 2023 , Edited by admin on Sat Dec 16 14:36:19 GMT 2023
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ACTIVE MOIETY
SUBSTANCE RECORD