Ligand id: 3634

Name: pranlukast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 123
Molecular weight 481.18
XLogP 6.96
No. Lipinski's rules broken 1

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. Capra V, Carnini C, Accomazzo MR, Di Gennaro A, Fiumicelli M, Borroni E, Brivio I, Buccellati C, Mangano P, Carnevali S et al.. (2015)
Autocrine activity of cysteinyl leukotrienes in human vascular endothelial cells: Signaling through the CysLTâ‚‚ receptor.
Prostaglandins Other Lipid Mediat., 120: 115-25. [PMID:25839425]
3. 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]
4. 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]
5. 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]
6. 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]