Ligand Id: 449
Ligand name MRS1754

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 131.42
Molecular weight 486.2
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
References
1. Ji, X., Kim, Y. C., Ahern, D. G., Linden, J. and Jacobson, K. A. (2001)
[3H]MRS 1754, a selective antagonist radioligand for A(2B) adenosine receptors.
Biochem Pharmacol, 61: 657-663. [PMID:11266650]
2. Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA. (2000)
Anilide derivatives of an 8-phenylxanthine carboxylic congener are highly potent and selective antagonists at human A(2B) adenosine receptors.
J. Med. Chem., 43 (6): 1165-72. [PMID:10737749]
3. Auchampach, JA; Kreckler, LM; Wan, TC; Maas, JE; van der Hoeven, D; Gizewski, E; Narayanan, J; Maas, GE. (2009)
Characterization of the A2B adenosine receptor from mouse, rabbit, and dog.
J. Pharmacol. Exp. Ther., 329 (1): 2-13. [PMID:19141710]
4. Fozard, JR; Baur, F; Wolber, C. (2003)
Antagonist pharmacology of adenosine A2B receptors from rat, guinea pig and dog.
Eur. J. Pharmacol., 475 (1-3): 79-84. [PMID:12954362]