Ligand id: 5617

Name: LAS38096

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.62
Molecular weight 316.11
XLogP 0.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Eastwood P, Gonzalez J, Paredes S, Nueda A, Domenech T, Alberti J, Vidal B. (2010)
Discovery of N-(5,6-diarylpyridin-2-yl)amide derivatives as potent and selective A(2B) adenosine receptor antagonists.
Bioorg. Med. Chem. Lett., 20 (5): 1697-700. [PMID:20137946]
2. Vidal B, Nueda A, Esteve C, Domenech T, Benito S, Reinoso RF, Pont M, Calbet M, L√≥pez R, Cadavid MI et al.. (2007)
Discovery and characterization of 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine (LAS38096), a potent, selective, and efficacious A2B adenosine receptor antagonist.
J. Med. Chem., 50 (11): 2732-6. [PMID:17469811]