ABT-639

Ligand id: 7721

Name: ABT-639

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.1
Molecular weight 455.09
XLogP 2.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jarvis MF, Scott VE, McGaraughty S, Chu KL, Xu J, Niforatos W, Milicic I, Joshi S, Zhang Q, Xia Z. (2014)
A peripherally acting, selective T-type calcium channel blocker, ABT-639, effectively reduces nociceptive and neuropathic pain in rats.
Biochem. Pharmacol.89 (4): 536-44. [PMID:24726441]