clemastine   Click here for help

GtoPdb Ligand ID: 6063

Synonyms: HS-592 | meclastin | Tavegil® | Tavist®
Approved drug Immunopharmacology Ligand
clemastine is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Marketed formulations contain clemastine hydrogen fumarate (PubChem CID 5281069).
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View more information in the IUPHAR Pharmacology Education Project: clemastine

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 343.17
XLogP 5.2
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCCN1C)C
Isomeric SMILES Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C
InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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Summary of Clinical Use Click here for help
Used to treat hay fever, rhinitis, allergic skin conditions, and pruritus
Mechanism Of Action and Pharmacodynamic Effects Click here for help
The drug blocks the action of endogenous histamine at the histamine H1 receptor.
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