Bioactive Compound Details

BioIDbio2056
NameIGMESINE HYDROCHLORIDE
ChEMBL IDCHEMBL2104866
Molecular FormulaC23H30ClN
Molecular Weight355.95
Molecular Weight (Monoisotopic)319.23
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCI-1019|IGMESINE HCL|IGMESINE HYDROCHLORIDE|JO-1784
SmilesCCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1.Cl
InchiInChI=1S/C23H29N.ClH/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20;/h4-15,21H,3,16-19H2,1-2H3;1H/b13-10+;
Inchi KeySCHQQPAJNUHKSV-RSGUCCNWSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities4.0
Np Likeness Score-0.2
Records Key['IGMESINE HYDROCHLORIDE', 'igmesine', 'IGMESINE', 'igmesine']
Records Name['IGMESINE HYDROCHLORIDE', 'igmesine', 'IGMESINE', 'igmesine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure