Ligand id: 680

Name: bradyzide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 18
Topological polar surface area 192.66
Molecular weight 682.27
XLogP 7.74
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Burgess GM, Perkins MN, Rang HP, Campbell EA, Brown MC, McIntyre P, Urban L, Dziadulewicz EK, Ritchie TJ, Hallett A, Snell CR, Wrigglesworth R, Lee W, Davis C, Phagoo SB, Davis AJ, Phillips E, Drake GS, Hughes GA, Dunstan A, Bloomfield GC. (2000)
Bradyzide, a potent non-peptide B(2) bradykinin receptor antagonist with long-lasting oral activity in animal models of inflammatory hyperalgesia.
Br J Pharmacol, 129: 77-86. [PMID:10694205]