Bioactive Compound Details

BioIDbio3334
NameALOSETRON HYDROCHLORIDE
ChEMBL IDCHEMBL1200885
Molecular FormulaC17H19ClN4O
Molecular Weight330.82
Molecular Weight (Monoisotopic)294.1481
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALOSETRON HCL|ALOSETRON HYDROCHLORIDE|GR 68755C|GR-68755C|LOTRONEX|LOTRPNEX
SmilesCc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl
InchiInChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
Inchi KeyFNYQZOVOVDSGJH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities33.0
Np Likeness Score-0.77
Records Key['ALOSETRON HYDROCHLORIDE', 'ALOSETRON HYDROCHLORIDE', 'SID170465416', 'SID49681825', 'Alosetron_HCL', 'Alosetron hydrochloride', 'ALOSETRON HYDROCHLORIDE', 'SID144206078', 'ALOSETRON HCL', 'Alosetron_HCL', 'SAM001246782']
Records Name['ALOSETRON HYDROCHLORIDE', 'ALOSETRON HYDROCHLORIDE', 'SID170465416', 'SID49681825', 'Alosetron_HCL', 'Alosetron hydrochloride', 'ALOSETRON HYDROCHLORIDE', 'SID144206078', 'ALOSETRON HCL', 'Alosetron_HCL', 'C0164619']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure