zafirlukast   Click here for help

GtoPdb Ligand ID: 3322

Synonyms: Accolate® | ICI-204219
Approved drug PDB Ligand Immunopharmacology Ligand
zafirlukast is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Zafirlukast is an oral leukotriene receptor antagonist (LTRA), with selectivity for cysteinyl leukotriene receptor 1 (CysLT1 receptor).
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: zafirlukast

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 124.11
Molecular weight 575.21
XLogP 5.47
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C
Isomeric SMILES COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C
InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
No information available.
Summary of Clinical Use Click here for help
Used in the prophylaxis and chronic treatment of asthma.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Antagonist of the leukotriene receptor CYSLTR1. This action clears the breathing passages by reducing airway constriction and inflammation and reduces build-up of mucus in the lungs..
External links Click here for help