Ligand id: 9331

Name: etrasimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 62.32
Molecular weight 457.19
XLogP 7.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Disease
Disease X-Refs Comment References
Pyoderma gangrenosum Disease Ontology: DOID:8553
Orphanet: ORPHA48104
Phase 2 clinical candidate for this condition (see NCT03072953).
Inflammatory bowel disease 1; IBD1 Disease Ontology: DOID:0050589
OMIM: 266600
Phase 2 clinical candidate for IBD patients (including UC and Crohn's disease) with active skin manifestations (see proof of concept study NCT03139032).