Bioactive Compound Details

BioIDbio3326
NamePALONOSETRON HYDROCHLORIDE
ChEMBL IDCHEMBL1720
Molecular FormulaC19H25ClN2O
Molecular Weight332.88
Molecular Weight (Monoisotopic)296.1889
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALOXI|PALONOCETRON HYDROCHLORIDE|PALONOSETRON (AS HYDROCHLORIDE)|PALONOSETRON HCL|PALONOSETRON HYDROCHLORIDE|Palonosetron Hospira|RS-25259-197
SmilesCl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
InchiInChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1
Inchi KeyOLDRWYVIKMSFFB-SSPJITILSA-N
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities67.0
Np Likeness Score0.12
Records Key['PALONOSETRON HYDROCHLORIDE', 'PALONOSETRON HYDROCHLORIDE', '(S,S)-37', 'PALONOSETRON HYDROCHLORIDE', 'SID144205974', 'PALONOSETRON HYDROCHLORIDE', 'Palonosetron HCl', 'Palonosetron HCl', 'Palonosetron HCl', 'SID170465300', 'Palonosetron hydrochloride', 'PALONOSETRON HCL', 'SAM001246791', 'EUB0001939aCl', 'PALONOSETRON HYDROCHLORIDE']
Records Name['PALONOSETRON HYDROCHLORIDE', 'PALONOSETRON HYDROCHLORIDE', '(S,S)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-benzo[de]isoquinolin-1-one hydrochloride', 'PALONOSETRON HYDROCHLORIDE', 'SID144205974', 'PALONOSETRON HYDROCHLORIDE', 'Palonosetron HCl', 'Palonosetron HCl', 'Palonosetron HCl', 'SID170465300', 'Palonosetron hydrochloride', 'PALONOSETRON HCL', 'C0164894', 'Palanosetron', 'PALONOSETRON HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure