Bioactive Compound Details

BioIDbio3333
NameOLOPATADINE
ChEMBL IDCHEMBL1189432
Molecular FormulaC21H23NO3
Molecular Weight337.42
Molecular Weight (Monoisotopic)337.1678
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAL-4943A|OLOPATADINA|OLOPATADINE|OPATANOL
SmilesCN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
InchiInChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
Inchi KeyJBIMVDZLSHOPLA-LSCVHKIXSA-N
Molecular SpeciesZWITTERION
Targets8.0
Bioactivities46.0
Np Likeness Score0.05
Records Key['Olopatadine hydrochloride脢', 'olopatadine', 'Olopatadine', 'Olopatadine', 'olopatadine', 'Olopatadine', 'OLOPATADINE', 'Olopatadine hydrochloride脗', 'OLOPATADINE', 'OLOPATADINE', 'Olopatadine hydrochloride (Opatanol)', 'COVC-2825432088', 'BA1001082']
Records Name['Olopatadine hydrochloride脢', 'olopatadine', 'Olopatadine', 'Olopatadine', 'Olopatadine', 'Olopatadine', 'OLOPATADINE', 'Olopatadine hydrochloride脗', 'OLOPATADINE', 'OLOPATADINE', 'Olopatadine hydrochloride (Opatanol)', 'OLOPATADINE', 'OLOPATADINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure