amiselimod phosphate

Ligand id: 9491

Name: amiselimod phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 132.05
Molecular weight 457.18
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Sugahara K, Maeda Y, Shimano K, Mogami A, Kataoka H, Ogawa K, Hikida K, Kumagai H, Asayama M, Yamamoto T et al.. (2017)
Amiselimod, a novel sphingosine 1-phosphate receptor-1 modulator, has potent therapeutic efficacy for autoimmune diseases, with low bradycardia risk.
Br. J. Pharmacol.174 (1): 15-27. [PMID:27714763]