Bioactive Compound Details

BioIDbio2480
NameCINANSERIN HYDROCHLORIDE
ChEMBL IDCHEMBL2104137
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95
Molecular Weight (Monoisotopic)340.1609
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCINANSERIN HCL|CINANSERIN HYDROCHLORIDE|NSC-125717|SQ 10,643|SQ-10643
SmilesCN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.Cl
InchiInChI=1S/C20H24N2OS.ClH/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);1H/b14-13+;
Inchi KeyLXGJPDKYMJJWRB-IERUDJENSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities8.0
Np Likeness Score-1.22
Records Key['CINANSERIN HYDROCHLORIDE', 'cinanserin', 'cinanserin', 'CINANSERIN', 'cinanserin']
Records Name['CINANSERIN HYDROCHLORIDE', 'cinanserin', 'cinanserin', 'CINANSERIN', 'cinanserin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure