Bioactive Compound Details

BioIDbio2979
NameFLIBANSERIN
ChEMBL IDCHEMBL231068
Molecular FormulaC20H21F3N4O
Molecular Weight390.41
Molecular Weight (Monoisotopic)390.1667
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsADDYI|BIMT 17|BIMT 17 BS|BIMT-17|BIMT-17-BS|ECTRIS|FLIBANSERIN|FLIBANSERINA|FLIBANSERINE
SmilesO=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InchiInChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
Inchi KeyPPRRDFIXUUSXRA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets34.0
Bioactivities51.0
Np Likeness Score-1.8
Records Key['FLIBANSERIN', 'FLIBANSERIN', 'FLIBANSERIN', 'Flibanserin', 'FLIBANSERIN', 'flibanserin', 'FLIBANSERIN', 'FLIBANSERIN', 'Flibanserin', 'Flibanserin', 'FLIBANSERIN', 'Flibanserin', 'COVC-3899237358', 'Flibanserin', 'flibanserin']
Records Name['FLIBANSERIN', 'FLIBANSERIN', 'FLIBANSERIN', 'Flibanserin', 'FLIBANSERIN', '1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-one', 'FLIBANSERIN', 'FLIBANSERIN', 'Flibanserin', 'Flibanserin', 'FLIBANSERIN', 'Flibanserin', 'FLIBANSERIN', 'Flibanserin', 'flibanserin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure