Bioactive Compound Details

BioIDbio2913
NameLERISETRON
ChEMBL IDCHEMBL56900
Molecular FormulaC18H20N4
Molecular Weight292.39
Molecular Weight (Monoisotopic)292.1688
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLERISETRON
Smilesc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1
InchiInChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
Inchi KeyPWWDCRQZITYKDV-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets13.0
Bioactivities32.0
Np Likeness Score-1.46
Records Key['1', '19e', 'Lerisetron', 'LERISETRON', '7e', 'Lerisetron脢', 'LERISETRON', 'LERISETRON', 'Lerisetron', 'Lerisetron', 'Lerisetron脗', 'Lerisetron', 'EUB0001962a']
Records Name['1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole', '1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole', '1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole', 'LERISETRON', '1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole', 'Lerisetron脢', 'LERISETRON', 'LERISETRON', 'Lerisetron', 'Lerisetron', 'Lerisetron脗', 'Lerisetron', 'Lerisetron']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure