Ligand id: 3322

Name: zafirlukast

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 124.11
Molecular weight 575.21
XLogP 5.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Capra V, Bolla M, Belloni PA, Mezzetti M, Folco GC, Nicosia S, Rovati GE. (1998)
Pharmacological characterization of the cysteinyl-leukotriene antagonists CGP 45715A (iralukast) and CGP 57698 in human airways in vitro.
Br. J. Pharmacol., 123 (3): 590-8. [PMID:9504401]
2. Heise CE, O'Dowd BF, Figueroa DJ, Sawyer N, Nguyen T, Im DS, Stocco R, Bellefeuille JN, Abramovitz M, Cheng R, Williams DL Jr, Zeng Z, Liu Q, Ma L, Clements MK, Coulombe N, Liu Y, Austin CP, George SR, O'Neill GP, Metters KM, Lynch KR, Evans JF. (2000)
Characterization of the new human cysteinyl leukotriene 2 receptor.
J. Biol. Chem., 275: 30531-30536. [PMID:10851239]
3. Lynch KR, O'Neill GP, Liu Q, Im DS, Sawyer N, Metters KM, Coulombe N, Abramovitz M, Figueroa DJ, Zeng Z, Connolly BM, Bai C, Austin CP, Chateauneuf A, Stocco R, Greig GM, Kargman S, Hooks SB, Hosfield E, Williams DL Jr, Ford-Hutchinson AW, Caskey CT, Evans JF. (1999)
Characterization of the human cysteinyl leukotriene CysLT1receptor.
Nature, 399: 789-793. [PMID:10391245]
4. Ravasi S, Capra V, Panigalli T, Rovati GE, Nicosia S. (2002)
Pharmacological differences among CysLT1 receptor antagonists with respect to LTC4 and LTD4 in human lung parenchyma.
Biochem. Pharmacol., 63: 1537-1546. [PMID:11996896]
5. Sarau HM, Ames RS, Chambers J, Ellis C, Elshourbagy N, Foley JJ, Schmidt DB, Muccitelli RM, Jenkins O, Murdock PR, Herrity NC, Halsey W, Sathe G, Muir AI, Nuthulaganti P, Dytko GM, Buckley PT, Wilson S, Bergsma DJ, Hay DW. (1999)
Identification, Molecular Cloning, Expression, and Characterization of a Cysteinyl Leukotriene Receptor.
Mol. Pharmacol., 56: 657-663. [PMID:10462554]
6. Schierle S, Flauaus C, Heitel P, Willems S, Schmidt J, Kaiser A, Weizel L, Goebel T, Kahnt AS, Geisslinger G et al.. (2018)
Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology.
J. Med. Chem., [Epub ahead of print]. [PMID:29878767]
7. Wunder F, Tinel H, Kast R, Geerts A, Becker EM, Kolkhof P, Hütter J, Ergüden J, Härter M. (2010)
Pharmacological characterization of the first potent and selective antagonist at the cysteinyl leukotriene 2 (CysLT(2)) receptor.
Br. J. Pharmacol., 160 (2): 399-409. [PMID:20423349]