filgotinib   Click here for help

GtoPdb Ligand ID: 7913

Synonyms: GLPG-0634 | GLPG0634 | Jyseleca®
Approved drug PDB Ligand Immunopharmacology Ligand
filgotinib is an approved drug (EMA (2020))
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. It is proposed as a once daily drug, that is predicted to cause fewer toxicity issues and adverse effects than existing JAK1 inhibitors.
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2020))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9720 filgotinib
Synonyms Click here for help
GLPG-0634 | GLPG0634 | Jyseleca®
Database Links Click here for help
CAS Registry No. 1206161-97-8
ChEMBL Ligand CHEMBL3301607
DrugCentral Ligand 5419
GtoPdb PubChem SID 249565596
PubChem CID 49831257
Search Google for chemical match using the InChIKey RIJLVEAXPNLDTC-UHFFFAOYSA-N
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SynPHARM 80797 (in complex with Janus kinase 2)
85292 (in complex with Janus kinase 2)
UniChem Compound Search for chemical match using the InChIKey RIJLVEAXPNLDTC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RIJLVEAXPNLDTC-UHFFFAOYSA-N
Wikipedia Filgotinib