Bioactive Compound Details

BioIDbio2509
NameCINANSERIN
ChEMBL IDCHEMBL18786
Molecular FormulaC20H24N2OS
Molecular Weight340.49
Molecular Weight (Monoisotopic)340.1609
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCINANSERIN|CINANSERINA|CINANSERINE
SmilesCN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1
InchiInChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
Inchi KeyRSUVYMGADVXGOU-BUHFOSPRSA-N
Molecular SpeciesBASE
Targets19.0
Bioactivities55.0
Np Likeness Score-1.22
Records Key['SID26751727', 'cinanserin', '22 cinanserin', '2', 'cinanserin', 'SID170466481', '8', 'Cinanserin', 'cinanserin', 'Cinaserin', '4', '11', 'Cinanserin', 'SID144204462', 'Cinanserin', 'COVC-3899245886', 'Cinanserin', 'Cinanserin', 'Cinanserin']
Records Name['SID26751727', 'N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide (Cinanserin)', '(E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide', 'Cinanserin', 'N-(2-(3-(dimethylamino)propylthio)phenyl)cinnamamide', 'SID170466481', 'Cinanserin', 'N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide (cinanserin)', 'N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide (cinanserin)', 'N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide', 'Cinanserin', 'N-(2-(3-(dimethylamino)propylthio)phenyl)cinnamamide', 'Cinanserin', 'SID144204462', 'Cinanserin', 'CINANSERIN', 'Cinanserin', 'Cinanserin', 'Cinanserin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure