Ligand id: 6196

Name: BayCysLT2

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 131.39
Molecular weight 589.27
XLogP 6.21
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Carnini C, Accomazzo MR, Borroni E, Vitellaro-Zuccarello L, Durand T, Folco G, Rovati GE, Capra V, Sala A. (2011)
Synthesis of cysteinyl leukotrienes in human endothelial cells: subcellular localization and autocrine signaling through the CysLT2 receptor.
FASEB J., 25 (10): 3519-28. [PMID:21753081]
2. Ni NC, Yan D, Ballantyne LL, Barajas-Espinosa A, St Amand T, Pratt DA, Funk CD. (2011)
A selective cysteinyl leukotriene receptor 2 antagonist blocks myocardial ischemia/reperfusion injury and vascular permeability in mice.
J. Pharmacol. Exp. Ther., 339 (3): 768-78. [PMID:21903747]