A425619

Ligand id: 4117

Name: A425619

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 54.02
Molecular weight 345.11
XLogP 4.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. El Kouhen R, Surowy CS, Bianchi BR, Neelands TR, McDonald HA, Niforatos W, Gomtsyan A, Lee CH, Honore P, Sullivan JP et al.. (2005)
A-425619 [1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea], a novel and selective transient receptor potential type V1 receptor antagonist, blocks channel activation by vanilloids, heat, and acid.
J. Pharmacol. Exp. Ther.314 (1): 400-9. [PMID:15837819]