Compound Detail

CHEMBL3301607

FILGOTINIB

💊 Approved Drug

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💊 Approved Drug

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3301607
Name	FILGOTINIB
Phase	Approved
Structure Type	MOL
InChI Key	RIJLVEAXPNLDTC-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

Filgotinib G-146034 G146034 Glpg-0634 GLPG0634 GS-6034 FREE BASE

Targets

184

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

425.5

MW (Da)

1.98

ALogP

HBA

HBD

96.7

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2020
Availability	Unknown
Chirality	Achiral

Flags

Chemical Probe

USAN Stem	-tinib
USAN Year	2014

Extended Properties

Molecular Formula	C21H23N5O3S
MW	425.51
Aromatic Rings	3
Heavy Atoms	30
NP-Likeness	-2.00

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Tyrosine-protein kinase JAK1 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK1	✓	✓
Tyrosine-protein kinase JAK2 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK2	✓	✓
Tyrosine-protein kinase TYK2 inhibitor	INHIBITOR	Non-receptor tyrosine-protein kinase TYK2	✓	✓
Tyrosine-protein kinase JAK3 inhibitor	INHIBITOR	Tyrosine-protein kinase JAK3	✓	✓

Indications

Arthritis, Psoriatic Arthritis, Rheumatoid Colitis, Ulcerative Crohn Disease Spondylarthropathies Spondylitis, Ankylosing Inflammatory Bowel Diseases Lupus Erythematosus, Cutaneous Lupus Erythematosus, Systemic Sjogren's Syndrome Uveitis Arthritis, Juvenile Kidney Diseases

ATC Classification

L04AF04

filgotinib

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: IMMUNOSUPPRESSANTS

Activity Summary

IC50 166 meas. best 8.95

Kd 17 meas. best 7.96

EC50 1 meas. best 5.51

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
JAK1/TYK2 CHEMBL3301391	IC50	8.95	6.6114	1.1	7
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	8.0	7.1951	10.0	35
Tyrosine-protein kinase JAK1 CHEMBL2835	Kd	7.96	7.96	11.0	2
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	7.6	6.3974	25.0	38
Jak1 protein CHEMBL3351191	IC50	7.54	7.54	29.0	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Kd	7.5	7.5	32.0	2
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	7.18	6.7623	65.3	22
Unchecked CHEMBL612545	IC50	7.11	7.11	78.0	1
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	6.83	6.1148	149.0	23
JAK3/JAK1 CHEMBL3038491	IC50	6.83	6.2378	148.0	9
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	6.56	6.56	274.0	3
Tyrosine-protein kinase JAK3 CHEMBL2148	Kd	6.52	6.52	300.0	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	6.47	6.47	338.0	3
Unchecked CHEMBL612545	Kd	6.42	5.7	376.0	2
JAK1/JAK2/TYK2 CHEMBL3301390	IC50	6.39	6.215	407.4	2
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	6.31	6.31	488.9	3
JAK2/JAK1 CHEMBL3038492	IC50	6.01	5.73	977.2	6
Tyrosine-protein kinase Mer CHEMBL5331	IC50	5.89	5.89	1274.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	5.88	5.88	1327.0	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	IC50	5.75	5.75	1791.0	1
Serine/threonine-protein kinase 10 CHEMBL3981	Kd	5.72	5.72	1912.0	1
AarF domain-containing protein kinase 1 CHEMBL4105885	Kd	5.69	5.69	2028.0	1
Mitogen-activated protein kinase 10 CHEMBL2637	Kd	5.67	5.67	2140.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	5.64	5.64	2302.0	1
Human immunodeficiency virus CHEMBL613758	EC50	5.51	5.51	3100.0	1
Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284	Kd	5.44	5.44	3633.0	1
Uncharacterized protein FLJ45252 CHEMBL4105933	Kd	5.36	5.36	4384.0	1
BaF3 CHEMBL614524	IC50	5.34	5.34	4546.0	2
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Kd	5.33	5.33	4714.0	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	5.3	5.3	4990.0	1
BMP-2-inducible protein kinase CHEMBL4522	Kd	5.18	5.18	6590.0	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Kd	5.03	5.03	9273.0	1
JAK2/TYK2 CHEMBL3301392	IC50	5.0	4.935	10123.0	2
Cytochrome P450 1A2 CHEMBL3356	IC50	4.18	4.18	65600.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.07	4.07	85000.0	2
Cytochrome P450 2C19 CHEMBL3622	IC50	4.05	4.05	88200.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	739.0	ng.hr.mL-1	Rattus norvegicus
AUC	1681.0	ng.hr.mL-1	Rattus norvegicus
AUC	4098.0	ng.hr.mL-1	Canis lupus familiaris
AUC	13908.0	ng.hr.mL-1	Canis lupus familiaris
AUC	347.0	ng.hr.mL-1	Mus musculus
AUC	1893.0	ng.hr.mL-1	Mus musculus
AUC	739.0	ng.hr.mL-1	Rattus norvegicus
AUC	1681.0	ng.hr.mL-1	Rattus norvegicus
CL	22.5	mL.min-1.kg-1	Rattus norvegicus
CL	4.167	mL.min-1.kg-1	Canis lupus familiaris
CL	9.6	mL.min-1.g-1	Mus musculus
CL	9.6	mL.min-1.g-1	Rattus norvegicus
CL	9.6	mL.min-1.g-1	Homo sapiens
CL	22.3	mL.min-1.g-1	Mus musculus
CL	6.4	mL.min-1.g-1	Rattus norvegicus
CL	6.4	mL.min-1.g-1	Homo sapiens
CL	48.33	mL.min-1.kg-1	Mus musculus
CL	23.33	mL.min-1.kg-1	Rattus norvegicus
Cmax	3306.62	nM	Rattus norvegicus
Cmax	728.54	nM	Rattus norvegicus
Cmax	2686.19	nM	Canis lupus familiaris
Cmax	4246.67	nM	Canis lupus familiaris
Cmax	1497.03	nM	Mus musculus
Cmax	2162.11	nM	Mus musculus
Cmax	3306.62	nM	Rattus norvegicus
Cmax	728.54	nM	Rattus norvegicus
F	67.0	%	Canis lupus familiaris
F	100.0	%	Mus musculus
F	45.0	%	Rattus norvegicus
Fu	0.518	-	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
JAK1/TYK2	IC50	=	1.127	nM	8.95	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFN-alpha-...	24006460
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of human recombinant JAK1	25369270
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of JAK1 (unknown origin)	26351728
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate after 40 mins in pres...	30108938
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of JAK 1 (unknown origin)	33539089
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Affinity Biochemical interaction (Radiometric kinase assay (incorporation of pho...	-
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of recombinant JAK1 (unknown origin) in the presence of ATP	32120325
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of recombinant human JAK1 using ULight-JAK-1(Tyr1023) peptide as subs...	35749986
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of JAK1 (unknown origin)	37793326
Tyrosine-protein kinase JAK1	IC50	=	10.0	nM	8.0	Inhibition of human recombinant JAK1 incubated for 60 mins	24006460
Tyrosine-protein kinase JAK1	Kd	=	11.0	nM	7.96	Selectivity interaction (Fluorescent competition binding assays) EUB0000626a JAK...	-
Tyrosine-protein kinase JAK1	Kd	=	11.0	nM	7.96	Binding affinity to human recombinant JAK1 assessed as dissociation constant by ...	24006460
Tyrosine-protein kinase JAK1	IC50	=	16.5	nM	7.78	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc...	38031930
Tyrosine-protein kinase JAK2	IC50	=	25.0	nM	7.6	Inhibition of human recombinant JAK2 incubated for 60 mins	24006460
Tyrosine-protein kinase JAK2	IC50	=	25.0	nM	7.6	Inhibition of JAK2 (unknown origin)	26351728
Tyrosine-protein kinase JAK1	IC50	=	26.2	nM	7.58	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc...	33428419
Tyrosine-protein kinase JAK2	IC50	=	28.0	nM	7.55	Inhibition of JAK 2 (unknown origin)	33539089
Tyrosine-protein kinase JAK2	IC50	=	28.0	nM	7.55	Inhibition of human JAK2 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substr...	30108938
Tyrosine-protein kinase JAK2	IC50	=	28.0	nM	7.55	Inhibition of JAK2 (unknown origin)	37793326
Tyrosine-protein kinase JAK2	IC50	=	28.0	nM	7.55	Inhibition of recombinant JAK2 (unknown origin) in the presence of ATP	32120325

Literature References

PubMed	DOI	Target Context	# Activities
24006460	10.4049/jimmunol.1201348	Mus musculus	28
24006460	10.4049/jimmunol.1201348	ADMET	22
-	10.6019/CHEMBL5724558	Colon cancer organoid	12
24006460	10.4049/jimmunol.1201348	Tyrosine-protein kinase JAK2	12
-	10.6019/CHEMBL5674860	Colon cancer organoid	12
25369270	10.1021/jm501262q	Rattus norvegicus	12
36512734	10.1021/acs.jmedchem.2c01550	ADMET	12
24006460	10.4049/jimmunol.1201348	Unchecked	10
-	10.6019/CHEMBL4689842	U2OS	10
25369270	10.1021/jm501262q	Canis familiaris	10
-	10.6019/CHEMBL4689842	Fibroblast	10
-	10.6019/CHEMBL4689842	HEK-293T	10
29452839	10.1016/j.bmc.2018.01.021	Mus musculus	8
24006460	10.4049/jimmunol.1201348	Tyrosine-protein kinase JAK1	8
30108938	10.1039/C7MD00568G	Mus musculus	8
33428419	10.1021/acs.jmedchem.0c01026	Unchecked	7
-	10.6019/CHEMBL5608141	Colon cancer organoid	6
24006460	10.4049/jimmunol.1201348	Tyrosine-protein kinase JAK3	5
25369270	10.1021/jm501262q	Tyrosine-protein kinase JAK2	5
24006460	10.4049/jimmunol.1201348	JAK3/JAK1	4

Data from ChEMBL 36 via Core Engine