Ligand id: 2905

Name: AM966

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 490.13
XLogP 8.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Swaney JS, Chapman C, Correa LD, Stebbins KJ, Broadhead AR, Bain G, Santini AM, Darlington J, King CD, Baccei CS et al.. (2011)
Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist.
J. Pharmacol. Exp. Ther., 336 (3): 693-700. [PMID:21159750]
2. Swaney JS, Chapman C, Correa LD, Stebbins KJ, Bundey RA, Prodanovich PC, Fagan P, Baccei CS, Santini AM, Hutchinson JH et al.. (2010)
A novel, orally active LPA(1) receptor antagonist inhibits lung fibrosis in the mouse bleomycin model.
Br. J. Pharmacol., 160 (7): 1699-713. [PMID:20649573]