Bioactive Compound Details

BioIDbio2463
NameIGMESINE
ChEMBL IDCHEMBL2110660
Molecular FormulaC23H29N
Molecular Weight319.49
Molecular Weight (Monoisotopic)319.23
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsIGMESINA|IGMESINE
SmilesCCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1
InchiInChI=1S/C23H29N/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/b13-10+
Inchi KeyVCZSWYIFCKGTJI-JLHYYAGUSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities4.0
Np Likeness Score-0.2
Records Key['IGMESINE', 'COVC-3900074335', 'igmesine']
Records Name['IGMESINE', 'IGMESINE', 'igmesine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure