MRE 2029F20

Ligand id: 390

Name: MRE 2029F20

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 147.29
Molecular weight 509.2
XLogP 4.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Baraldi PG, Tabrizi MA, Preti D, Bovero A, Romagnoli R, Fruttarolo F, Zaid NA, Moorman AR, Varani K, Gessi S et al.. (2004)
Design, synthesis, and biological evaluation of new 8-heterocyclic xanthine derivatives as highly potent and selective human A2B adenosine receptor antagonists.
J. Med. Chem., 47 (6): 1434-47. [PMID:14998332]
2. Varani K, Gessi S, Merighi S, Vincenzi F, Cattabriga E, Benini A, Klotz KN, Baraldi PG, Tabrizi MA, Lennan SM et al.. (2005)
Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.
Biochem. Pharmacol., 70 (11): 1601-12. [PMID:16219300]