filgotinib   

GtoPdb Ligand ID: 7913

Synonyms: GLPG-0634 | GLPG0634
Compound class: Synthetic organic
Comment: Filgotinib is a selective and orally acive JAK1 inhibitor [3]. It is being developed in a collaboration between Gilead Sciences and Galapagos for the treatment of inflammatory indications including psoriatic arthritis, ankylosing spondylitis, Crohn's disease, ulcerative colitis and rheumatoid arthritis.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 105.05
Molecular weight 425.15
XLogP 1.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1
Isomeric SMILES O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1
InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
InChI Key RIJLVEAXPNLDTC-UHFFFAOYSA-N
Immunopharmacology Comments
Filgotinib is a JAK1 inhibitor, Phase 3 clinical candidate for autoimmune inflammatory diseases.
Immunopharmacology Disease
Disease X-Refs Comment References
Ankylosing spondylitis Disease Ontology: DOID:7147
A Phase 2 clinical candidate for ankylosing spondylitis (see NCT03117270).
Psoriatic arthritis Disease Ontology: DOID:9008
A Phase 2 clinical candidate for PsA (see NCT03101670).
Crohn's disease Disease Ontology: DOID:8778
OMIM: 266600
Orphanet: ORPHA206
Phase 2 clinical candidate for both perianal fistulizing (NCT03077412) and small bowel (NCT03046056) CD.