Filgotinib (CED0005938)

Record Information

Version

1.0

Creation Date

2026-04-14 19:57:54 UTC

Update Date

2026-08-21 18:55:38 UTC

Accession Number

CHEM132573

Identification

Common Name

Filgotinib

Class

Small Molecule

Description

Filgotinib is an organic compound with the formula C21H23N5O3S and an average molecular weight of 425.51 g/mol. Filgotinib belongs to the phenylpyridines, a subclass of pyridines and derivatives within the organic compounds. In terms of biological activity, it functions as an inhibitor of the protein target Tyrosine-protein kinase JAK1. The compound is found in or released from two recorded sources: electric hearing aids (Electrical & Electronic Equipment) and immunosuppressants (Healthcare, pharmaceuticals & veterinary products). The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₃N₅O₃S

Average Molecular Mass

425.510 g/mol

Monoisotopic Mass

425.152 g/mol

CAS Registry Number

1206161-97-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1

InChI Identifier

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

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-017l-3109000000-a12fd491f465b1bde532	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0030900000-2f1a4b3891c32430c677	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0033900000-18f8a53b251a61fe7737	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udl-0291000000-6457cb04c93f15f5f6bf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-b7b7e3e09c73e5f9511a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dl-1109500000-ed3dba352de355ebaf26	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ox-9155000000-59b830b63e208489a430	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1481.0	Log mg/kg	[830:2600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
362	Immunosuppressants	Healthcare, pharmaceuticals & veterinary products	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available

Pathways

1 pathway

Filgotinib Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Jak1 protein	Q5FVF5	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	37.9126
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	39.0803
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	17.5939
Click to view 3D structure	Tyrosine-protein kinase JAK1	P23458	Humans	Predicted (SEA)	16.1926
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	32.6188
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	30.2055
Click to view 3D structure	Tyrosine-protein kinase SYK	P43405	Humans	Predicted (SEA)	33.4752
Click to view 3D structure	Serine/threonine-protein kinase TBK1	Q9UHD2	Humans	Predicted (SEA)	13.3122
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	67.5731
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase 7	O43318	Humans	Predicted (SEA)	4.67095
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	28.1814
Click to view 3D structure	Mitogen-activated protein kinase 12	P53778	Humans	Predicted (SEA)	49.3564
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	118.175
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	182.946
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	131.409
Click to view 3D structure	Mitogen-activated protein kinase 10	P53779	Humans	Predicted (SEA)	24.6004
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	100.737
Click to view 3D structure	Tyrosine-protein kinase Mer	Q12866	Humans	Predicted (SEA)	36.5891
Click to view 3D structure	AP2-associated protein kinase 1	Q2M2I8	Humans	Predicted (SEA)	17.9832
Click to view 3D structure	BMP-2-inducible protein kinase	Q9NSY1	Humans	Predicted (SEA)	14.3243
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	55.5065
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	111.247
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	72.7112
Click to view 3D structure	STE20-like serine/threonine-protein kinase	Q9H2G2	Humans	Predicted (SEA)	54.1052