Ligand id: 9331

Name: etrasimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 62.32
Molecular weight 457.19
XLogP 6.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Etrasimod (APD334) is in Phase 2 extension study clinical trial in patients with moderately to severely active ulcerative colitis (see NCT02536404).
Mechanism Of Action and Pharmacodynamic Effects
Etrasimod (APD334) behaves as a functional antagonist of S1P1 receptors in that sustained agonist activity results in internalization and proteasomal degradation, and hence reduced expression of lymphocyte S1P1 receptors.