Ligand id: 3290

Name: apadenoson

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 174.71
Molecular weight 486.22
XLogP 1.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Jacobson KA, Gao ZG. (2006)
Adenosine receptors as therapeutic targets.
Nat Rev Drug Discov5 (3): 247-64. [PMID:16518376]
2. Peirce SM, Skalak TC, Rieger JM, Macdonald TL, Linden J. (2001)
Selective A(2A) adenosine receptor activation reduces skin pressure ulcer formation and inflammation.
Am. J. Physiol. Heart Circ. Physiol.281 (1): H67-74. [PMID:11406470]