Bioactive Compound Details

BioIDbio2942
NameGRANISETRON HYDROCHLORIDE
ChEMBL IDCHEMBL1237080
Molecular FormulaC18H25ClN4O
Molecular Weight348.88
Molecular Weight (Monoisotopic)312.195
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBEMA GRANISETRON|BRL 43694A|BRL-43694A|GRANISETRON (AS HYDROCHLORIDE)|GRANISETRON HCL|GRANISETRON HYDROCHLORIDE|GRANISETRON HYDROCHLORIDE PRESERVATIVE FREE|GRANISOL|GRANISTERON HYDROCHLORIDE|KYTRIL|NSC-759839
SmilesCN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl
InchiInChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H
Inchi KeyQYZRTBKYBJRGJB-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities11.0
Np Likeness Score-1.06
Records Key['GRANISETRON HYDROCHLORIDE', 'SID124894588', 'GRANISETRON HYDROCHLORIDE', 'GRANISETRON HYDROCHLORIDE', 'Granisetron hydrochloride', 'GRANISETRON HYDROCHLORIDE']
Records Name['GRANISETRON HYDROCHLORIDE', 'SID124894588', 'GRANISETRON HYDROCHLORIDE', 'GRANISETRON HYDROCHLORIDE', 'Granisetron hydrochloride', 'GRANISETRON HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure