Bioactive Compound Details

BioIDbio3084
NameCLOPIDOGREL BISULFATE
ChEMBL IDCHEMBL1083385
Molecular FormulaC16H18ClNO6S2
Molecular Weight419.91
Molecular Weight (Monoisotopic)321.059
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCLOPIDOGREL (AS BISULFATE)|CLOPIDOGREL (AS HYDROGEN SULFATE)|CLOPIDOGREL BISULFATE|CLOPIDOGREL BISULPHATE|CLOPIDOGREL BMS|CLOPIDOGREL HYDROGEN SULFATE|CLOPIDOGREL HYDROGEN SULPHATE|CLOPIDOGREL RATIOPHARM|CLOPIDOGREL SULFATE|CLOPIDOGREL TEVA|CLOPIDOGREL ZENTIVA|CLOPIDOGREL-BGR|CLOPIDOGREL-BMS|ISOCOVER|Iscover|PIDOGREL|PLAVIX|SR 25990C|SR-25990C
SmilesCOC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O
InchiInChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1
Inchi KeyFDEODCTUSIWGLK-RSAXXLAASA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities28.0
Np Likeness Score-1.58
Records Key['CLOPIDOGREL BISULFATE', 'clopidogrel sulfate', 'SID144205123', 'CLOPIDOGREL SULFATE', 'Clopidogrel hydrogen sulfate', 'SID170465231', 'CLOPIDOGREL BISULFATE', 'CLOPIDOGREL BISULFATE', 'Clopidogrel bisulfate', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL BISULFATE']
Records Name['CLOPIDOGREL BISULFATE', 'clopidogrel sulfate', 'SID144205123', 'CLOPIDOGREL SULFATE', 'Clopidogrel hydrogen sulfate', 'SID170465231', 'CLOPIDOGREL BISULFATE', 'CLOPIDOGREL BISULFATE', 'Clopidogrel bisulfate', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL SULFATE', 'CLOPIDOGREL BISULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure