Ligand id: 8420

Name: UK-432,097

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 18
Topological polar surface area 220.78
Molecular weight 777.37
XLogP 4
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Guo D, Mulder-Krieger T, IJzerman AP, Heitman LH. (2012)
Functional efficacy of adenosine A₂A receptor agonists is positively correlated to their receptor residence time.
Br. J. Pharmacol., 166 (6): 1846-59. [PMID:22324512]
2. Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC. (2011)
Structure of an agonist-bound human A2A adenosine receptor.
Science, 332 (6027): 322-7. [PMID:21393508]