Bioactive Compound Details

BioIDbio2457
NameCLOPIDOGREL METABOLITE H4
ChEMBL IDCHEMBL1201398
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82
Molecular Weight (Monoisotopic)341.0489
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms2-oxoclopidogrel|Clopidogrel metabolite H4
SmilesO=C(O)/C=C1\CN([C@H](C(=O)O)c2ccccc2Cl)CCC1S
InchiInChI=1S/C15H16ClNO4S/c16-11-4-2-1-3-10(11)14(15(20)21)17-6-5-12(22)9(8-17)7-13(18)19/h1-4,7,12,14,22H,5-6,8H2,(H,18,19)(H,20,21)/b9-7+/t12?,14-/m0/s1
Inchi KeyGZZDPOCSWMTUJU-ODAXIEOESA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-0.51
Records Key['CLOPIDOGREL METABOLITE H4']
Records Name['CLOPIDOGREL METABOLITE H4']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure