Bioactive Compound Details

BioIDbio2927
NameEPLIVANSERIN
ChEMBL IDCHEMBL257704
Molecular FormulaC19H21FN2O2
Molecular Weight328.39
Molecular Weight (Monoisotopic)328.1587
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEPLIVANSERIN|EPLIVANSERINA|EPLIVANSERINE|SR-46349|SR46349
SmilesCN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F
InchiInChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-
Inchi KeyVAIOZOCLKVMIMN-PRJWTAEASA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities9.0
Np Likeness Score-0.57
Records Key['EPLIVANSERIN', 'eplivanserin', 'EPLIVANSERIN', 'Eplivanserin脢', 'Eplivanserin脗', 'COVC-1752601784', 'SR46349B; 72']
Records Name['EPLIVANSERIN', '(1Z,2E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one O-2-(dimethylamino)ethyl oxime', 'EPLIVANSERIN', 'Eplivanserin脢', 'Eplivanserin脗', 'EPLIVANSERIN', '1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one O-2-(dimethylamino)ethyl oxime']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure