Bioactive Compound Details

BioIDbio3125
NameSARPOGRELATE
ChEMBL IDCHEMBL52939
Molecular FormulaC24H31NO6
Molecular Weight429.51
Molecular Weight (Monoisotopic)429.2151
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsSARPOGRELATE|SARPOGRELATE HYDROCHLORIDE|SARPOGRELATO
SmilesCOc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1
InchiInChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
Inchi KeyFFYNAVGJSYHHFO-UHFFFAOYSA-N
Molecular SpeciesACID
Targets10.0
Bioactivities31.0
Np Likeness Score-0.14
Records Key['SID124893325', 'SID50112742', 'SARPOGRELATE', 'SARPOGRELATE (HYDROCHLORIDE)', 'SID174006666', 'Sarpogrelate (hydrochloride)', 'Sarpogrelate (hydrochloride)', 'SARPOGRELATE', 'COVC-0134874808', 'Sarpogrelate (hydrochloride)']
Records Name['SID124893325', 'SID50112742', 'SARPOGRELATE', 'SARPOGRELATE (HYDROCHLORIDE)', 'SID174006666', 'Sarpogrelate (hydrochloride)', 'Sarpogrelate (hydrochloride)', 'SARPOGRELATE', 'SARPOGRELATE', 'Sarpogrelate (hydrochloride)']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure