Compound Detail
CHEMBL2105759
BARICITINIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2105759 |
| Name | BARICITINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
36
Targets
143
Activities
2
Assay Types
13
PK Parameters
20
Publications
9
Known Names
20
Indications
2
Mechanisms
Molecular Properties
371.4
MW (Da)
1.10
ALogP
7
HBA
1
HBD
120.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Prescription |
| Chirality | Achiral |
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 | ✓ | ✓ |
Indications
Arthritis, Rheumatoid Alopecia Areata Arthritis, Juvenile Dermatitis, Atopic Dermatomyositis Dermatomyositis Influenza, Human Lupus Erythematosus, Systemic Pneumonia Sepsis Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Uveitis Brain Injuries Diabetes Mellitus, Type 1 Diabetic Nephropathies Giant Cell Arteritis HIV Infections Lichen Planus Liver Cirrhosis, Biliary
ATC Classification
L04AF02
baricitinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS
Drug Warnings
Black Box Warning
vascular toxicity
Black Box Warning
carcinogenicity
Black Box Warning
respiratory toxicity
Black Box Warning
infectious disease
Activity Summary
IC50 102 meas. best 9.15
Kd 41 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.15 | 8.3288 | 0.7 | 26 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.1 | 8.0133 | 0.8 | 30 |
| JAK3/JAK1 CHEMBL3038491 | IC50 | 8.3 | 7.154 | 5.0 | 5 |
| AP2-associated protein kinase 1 CHEMBL3830 | Kd | 8.09 | 7.9963 | 8.2 | 8 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.06 | 7.4123 | 8.7 | 13 |
| JAK1/TYK2 CHEMBL3301391 | IC50 | 7.89 | 7.6975 | 13.0 | 4 |
| JAK1/JAK2/TYK2 CHEMBL3301390 | IC50 | 7.8 | 7.74 | 16.0 | 2 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 7.7 | 7.53 | 20.0 | 2 |
| BMP-2-inducible protein kinase CHEMBL4522 | Kd | 7.7 | 7.3567 | 20.0 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.6 | 6.5222 | 25.0 | 9 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 6.998 | 40.0 | 5 |
| Uncharacterized protein FLJ45252 CHEMBL4105933 | Kd | 7.11 | 7.11 | 78.0 | 1 |
| JAK2/TYK2 CHEMBL3301392 | IC50 | 7.09 | 6.8733 | 81.9 | 3 |
| Septin-9 CHEMBL4105891 | Kd | 7.08 | 7.08 | 84.0 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Kd | 6.98 | 6.98 | 104.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Kd | 6.98 | 6.98 | 104.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 6.92 | 6.598 | 120.0 | 5 |
| Unchecked CHEMBL612545 | Kd | 6.9 | 6.19 | 126.0 | 2 |
| Serine/threonine-protein kinase MARK2 CHEMBL3831 | Kd | 6.9 | 6.9 | 125.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829 | Kd | 6.61 | 6.61 | 243.0 | 1 |
| Casein kinase I isoform gamma-2 CHEMBL2543 | Kd | 6.58 | 6.58 | 265.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | Kd | 6.57 | 6.57 | 269.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | Kd | 6.51 | 6.51 | 312.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029 | Kd | 6.47 | 6.47 | 335.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Kd | 6.32 | 6.32 | 482.0 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | Kd | 6.21 | 6.21 | 622.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Kd | 6.12 | 6.12 | 756.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | Kd | 6.11 | 6.11 | 778.0 | 1 |
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | Kd | 6.09 | 6.09 | 810.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Kd | 6.01 | 6.01 | 973.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | Kd | 5.97 | 5.97 | 1075.0 | 1 |
| Casein kinase I isoform gamma-1 CHEMBL2426 | Kd | 5.76 | 5.76 | 1753.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956 | Kd | 5.72 | 5.72 | 1891.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Kd | 5.68 | 5.68 | 2071.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Kd | 5.44 | 5.44 | 3597.0 | 1 |
| Citron Rho-interacting kinase CHEMBL5579 | Kd | 5.36 | 5.36 | 4361.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | Kd | 4.58 | 4.58 | 26324.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1586.81 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3608.48 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 10.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 23.17 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 25.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 1774.76 | nM | Rattus norvegicus |
| F | 45.48 | % | Rattus norvegicus |
| MRT | 1.34 | hr | Rattus norvegicus |
| MRT | 4.36 | hr | Rattus norvegicus |
| T1/2 | 1.96 | hr | Rattus norvegicus |
| T1/2 | 2.43 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine