CP608,039

Ligand id: 5598

Name: CP608,039

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 175.47
Molecular weight 528.16
XLogP 1.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jacobson KA, Gao ZG. (2006)
Adenosine receptors as therapeutic targets.
Nat Rev Drug Discov5 (3): 247-64. [PMID:16518376]
2. Tracey WR, Magee WP, Oleynek JJ, Hill RJ, Smith AH, Flynn DM, Knight DR. (2003)
Novel N6-substituted adenosine 5'-N-methyluronamides with high selectivity for human adenosine A3 receptors reduce ischemic myocardial injury.
Am. J. Physiol. Heart Circ. Physiol.285 (6): H2780-7. [PMID:12919933]