Bioactive Compound Details

BioIDbio3191
NameAZASETRON
ChEMBL IDCHEMBL1598608
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82
Molecular Weight (Monoisotopic)349.1193
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZASETRON|AZASETRON HYDROCHLORIDE
SmilesCN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21
InchiInChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
Inchi KeyWUKZPHOXUVCQOR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets134.0
Bioactivities797.0
Np Likeness Score-0.71
Records Key['AZASETRON', 'AZASETRON', 'SID26751695', 'SID144204457', 'SID170466158', 'AZASETRON', 'Azasetron HCl', 'COVC-1751868674', 'Y-25130 hydrochloride', 'AZASETRON', 'AZASETRON HCL', 'AZASETRON', 'Azasetron HCl', 'AZASETRON', 'azasetron', 'Azasetron HCl']
Records Name['Azasetron', 'AZASETRON', 'SID26751695', 'SID144204457', 'SID170466158', 'AZASETRON', 'Azasetron HCl', 'AZASETRON', 'Azasetron', 'AZASETRON', 'AZASETRON HCL', 'AZASETRON', 'Azasetron HCl', 'AZASETRON', 'azasetron', 'Azasetron HCl']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure