Ligand id: 2937

Name: AFD(R)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 111.82
Molecular weight 373.2
XLogP 3.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brinkmann V, Davis MD, Heise CE, Albert R, Cottens S, Hof R, Bruns C, Prieschl E, Baumruker T, Hiestand P et al.. (2002)
The immune modulator FTY720 targets sphingosine 1-phosphate receptors.
J. Biol. Chem., 277 (24): 21453-7. [PMID:11967257]
2. Sanna MG, Liao J, Jo E, Alfonso C, Ahn MY, Peterson MS, Webb B, Lefebvre S, Chun J, Gray N et al.. (2004)
Sphingosine 1-phosphate (S1P) receptor subtypes S1P1 and S1P3, respectively, regulate lymphocyte recirculation and heart rate.
J. Biol. Chem., 279 (14): 13839-48. [PMID:14732717]