Ligand id: 6985

Name: BrP-LPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 113.87
Molecular weight 486.17
XLogP 6.67
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Zhang H, Xu X, Gajewiak J, Tsukahara R, Fujiwara Y, Liu J, Fells JI, Perygin D, Parrill AL, Tigyi G et al.. (2009)
Dual activity lysophosphatidic acid receptor pan-antagonist/autotaxin inhibitor reduces breast cancer cell migration in vitro and causes tumor regression in vivo.
Cancer Res., 69 (13): 5441-9. [PMID:19509223]