FILGOTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L04AA45
UNII: 3XVL385Q0M

Structure
InChI Key RIJLVEAXPNLDTC-UHFFFAOYSA-N
Smile O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N5O3S
Molecular Weight 425.51
AlogP 1.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 96.67
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor PubMed
Primary Target
Janus kinase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 25-17453 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 25-17453 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 338 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 274 - - -
Enzyme Kinase Protein Kinase
- 25-17453 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 85000-85000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Crohn Disease 3 D003424 ClinicalTrials
Colitis, Ulcerative 3 D003093 ClinicalTrials
Arthritis, Psoriatic 3 D015535 ClinicalTrials
Spondylitis, Ankylosing 3 D013167 ClinicalTrials
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Sjogren's Syndrome 2 D012859 ClinicalTrials
Uveitis 2 D014605 ClinicalTrials
Inflammatory Bowel Diseases 2 D015212 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Lupus Erythematosus, Cutaneous 2 D008178 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1206161-97-8
ChEMBL CHEMBL3301607
DrugBank DB14845
EPA CompTox DTXSID80152935
FDA SRS 3XVL385Q0M
Guide to Pharmacology 7913
PDB 2HB
PubChem 49831257
SureChEMBL SCHEMBL253559
ZINC ZINC000096174616
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