AUY954

Ligand id: 2925

Name: AUY954

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 77.57
Molecular weight 455.12
XLogP 8.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Foss FW, Snyder AH, Davis MD, Rouse M, Okusa MD, Lynch KR, Macdonald TL. (2007)
Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists.
Bioorg. Med. Chem.15 (2): 663-77. [PMID:17113298]
2. Pan S, Mi Y, Pally C, Beerli C, Chen A, Guerini D, Hinterding K, Nuesslein-Hildesheim B, Tuntland T, Lefebvre S et al.. (2006)
A monoselective sphingosine-1-phosphate receptor-1 agonist prevents allograft rejection in a stringent rat heart transplantation model.
Chem. Biol.13 (11): 1227-34. [PMID:17114004]