Ligand id: 5130

Name: A134974

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 123.21
Molecular weight 375.02
XLogP -0.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. McGaraughty S, Chu KL, Wismer CT, Mikusa J, Zhu CZ, Cowart M, Kowaluk EA, Jarvis MF. (2001)
Effects of A-134974, a novel adenosine kinase inhibitor, on carrageenan-induced inflammatory hyperalgesia and locomotor activity in rats: evaluation of the sites of action.
J. Pharmacol. Exp. Ther., 296 (2): 501-9. [PMID:11160637]