ABT702

Ligand id: 5131

Name: ABT702

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 90.05
Molecular weight 462.08
XLogP 3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jarvis MF, Yu H, Kohlhaas K, Alexander K, Lee CH, Jiang M, Bhagwat SS, Williams M, Kowaluk EA. (2000)
ABT-702 (4-amino-5-(3-bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2, 3-d]pyrimidine), a novel orally effective adenosine kinase inhibitor with analgesic and anti-inflammatory properties: I. In vitro characterization and acute antinociceptive effects in the mouse.
J. Pharmacol. Exp. Ther.295 (3): 1156-64. [PMID:11082453]