CYM5442

Ligand id: 2928

Name: CYM5442

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 89.64
Molecular weight 409.2
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Gonzalez-Cabrera PJ, Jo E, Sanna MG, Brown S, Leaf N, Marsolais D, Schaeffer MT, Chapman J, Cameron M, Guerrero M et al.. (2008)
Full pharmacological efficacy of a novel S1P1 agonist that does not require S1P-like headgroup interactions.
Mol. Pharmacol.74 (5): 1308-18. [PMID:18708635]