Ligand id: 9569

Name: ASP4058

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 76.83
Molecular weight 442.09
XLogP 6.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
S1P receptor agonists are known to regulate lymphocyte trafficking and thereby produce an immunomodulatory effect. Therapeutic potential in MS is suggested by results from expermiments in a rodent model of MS [4].
Immunopharmacology Disease
Disease X-Refs Comment References
Relapsing-remitting multiple sclerosis Disease Ontology: DOID:2378
ASP4058 ameliorates rodent experimental autoimmune encephalomyelitis (EAE), a model of human MS. 4