Molecule Details
| InChIKey | RIJLVEAXPNLDTC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Filgotinib |
| Canonical SMILES | O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14845 |
|---|---|
| Drug Name | Filgotinib |
| CAS Number | 1206161-97-8 |
| Groups | approved investigational |
| ATC Codes | L04AF04 |
| Description | Rheumatoid arthritis (RA) is a chronic, autoimmune, systemic, and inflammatory disease that causes synovial joint symptoms and can limit range of motion in severe cases.[A221451,A221456] The disease is associated with extra-articular manifestations, progressive disability, and comorbidities includin... |
Categories: Antineoplastic and Immunomodulating Agents Arthritis, Rheumatoid, drug therapy Immunosuppressive Agents Janus Kinase 1, antagonists & inhibitors Janus Kinase Inhibitor Janus Kinases, antagonists & inhibitors P-glycoprotein substrates Selective Immunosuppressants
Cross-references: BindingDB: 103727 CHEMBL3301607 ChemSpider: 28189566 PDB: 2HB Wikipedia: Filgotinib ZINC: ZINC000096174616
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.6 | IC50 | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.6 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |