Ligand id: 4116

Name: A-317567

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 53.11
Molecular weight 397.25
XLogP 8.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. DubĂ© GR, Lehto SG, Breese NM, Baker SJ, Wang X, Matulenko MA, HonorĂ© P, Stewart AO, Moreland RB, Brioni JD. (2005)
Electrophysiological and in vivo characterization of A-317567, a novel blocker of acid sensing ion channels.
Pain, 117 (1-2): 88-96. [PMID:16061325]