Bioactive Compound Details

BioIDbio2092
NamePELANSERIN HYDROCHLORIDE
ChEMBL IDCHEMBL2105357
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91
Molecular Weight (Monoisotopic)364.1899
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsPELANSERIN HCL|PELANSERIN HYDROCHLORIDE|TR-2515
SmilesCl.O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1
InchiInChI=1S/C21H24N4O2.ClH/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17;/h1-5,7-10H,6,11-16H2,(H,22,27);1H
Inchi KeySXZRLCAHCIRKJU-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.39
Records Key['PELANSERIN HYDROCHLORIDE']
Records Name['PELANSERIN HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure