olopatadine   Click here for help

GtoPdb Ligand ID: 7249

Synonyms: ALO-4943A | KW-4679 | Opatanol® | Patanol® | Pazeo®
Approved drug Immunopharmacology Ligand
olopatadine is an approved drug (FDA (1996), EMA (2002))
Compound class: Synthetic organic
Comment: Olopatadine is an antihistamine.
Marketed formulations may contain olopatadine hydrochloride (PubChem CID 5282402).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 337.17
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCC=C1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
Isomeric SMILES CN(CC/C=C/1\c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
InChI InChI=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-
Bioactivity Comments
We have been unable to find publicly available affinity data for this drug at its proposed molecular target to substantiate its MMOA, and have therefore not tagged a primary drug target.