Bioactive Compound Details

BioIDbio3051
NameRAMOSETRON HYDROCHLORIDE
ChEMBL IDCHEMBL3181841
Molecular FormulaC17H18ClN3O
Molecular Weight315.8
Molecular Weight (Monoisotopic)279.1372
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(R)-(-)-RAMOSETRON HYDROCHLORIDE|IRRIBOW|RAMOSETRON HYDROCHLORIDE|YM-060|YM060
SmilesCl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21
InchiInChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
Inchi KeyXIXYTCLDXQRHJO-RFVHGSKJSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score-0.92
Records Key['SID170465928', 'SID144205994', 'Ramosetron (Hydrochloride)', 'Ramosetron (Hydrochloride)', 'RAMOSETRON (HYDROCHLORIDE)', 'Ramosetron hydrochloride', 'RAMOSETRON HYDROCHLORIDE']
Records Name['SID170465928', 'SID144205994', 'Ramosetron (Hydrochloride)', 'Ramosetron (Hydrochloride)', 'RAMOSETRON (HYDROCHLORIDE)', 'Ramosetron hydrochloride', 'RAMOSETRON HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure