Molecule Details
InChIKeyXUZMWHLSFXCVMG-UHFFFAOYSA-N
Compound NameBaricitinib
Canonical SMILESCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)24
Pfam Stratification Cross-Family
Avg pChEMBL6.89
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11817
Drug NameBaricitinib
CAS Number1187594-09-7
Groups approved investigational
ATC Codes L04AF02
DescriptionBaricitinib is a Janus kinase (JAK) inhibitor. JAKs are tyrosine protein kinases that play an important role in pro-inflammatory signaling pathways. Overactive JAKs have been implicated in autoimmune disorders, such as rheumatoid arthritis. By inhibiting the actions of JAK1 and JAK2, baricitinib att...

Categories: Amides Antineoplastic and Immunomodulating Agents Antirheumatic Agents Azetines BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Disease-modifying Antirheumatic Agents Drugs that are Mainly Renally Excreted Experimental Unapproved Treatments for COVID-19 Heterocyclic Compounds, Fused-Ring Immunosuppressive Agents Janus Kinase Inhibitor Janus Kinase Inhibitors MATE 2 Inhibitors MATE 2 Substrates MATE 2 Substrates with a Narrow Therapeutic Index MATE inhibitors MATE substrates Narrow Therapeutic Index Drugs OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index OATP1B3 inhibitors OCT2 Inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Selective Immunosuppressants Sulfones Sulfur Compounds
Cross-references: BindingDB: 50021656 ChEBI: 95341 CHEMBL2105759 ChemSpider: 26373084 Drugs Product Database (DPD): 22971 D10308 PDB: 3JW PubChem:44205240 PubChem:347828164 RxCUI: 2047232 Wikipedia: Baricitinib ZINC: ZINC000073069247
Target Activities (24)
Target Gene Organism Category Pfam pChEMBL Type Source
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 8.2 IC50 ChEMBL;BindingDB
P23458 JAK1 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 8.2 IC50 ChEMBL;BindingDB
Q2M2I8 AAK1 Homo sapiens Human PF00069 8.1 Kd ChEMBL;BindingDB
Q9NSY1 BMP2K Homo sapiens Human PF15282 PF00069 7.7 Kd ChEMBL;BindingDB
P40763 STAT3 Homo sapiens Human PF00017 PF01017 PF02864 PF02865 PF21354 7.5 IC50 ChEMBL
P29597 TYK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 7.4 IC50 ChEMBL;BindingDB
Q6ZSR9 Homo sapiens Human PF15282 7.1 Kd ChEMBL
Q9UHD8 SEPTIN9 Homo sapiens Human PF00735 7.1 Kd ChEMBL
P27448 MARK3 Homo sapiens Human PF02149 PF00069 PF00627 7.0 Kd ChEMBL
Q16512 PKN1 Homo sapiens Human PF02185 PF00069 PF00433 7.0 Kd ChEMBL
O14976 GAK Homo sapiens Human PF00069 PF10409 6.9 Kd ChEMBL;BindingDB
Q7KZI7 MARK2 Homo sapiens Human PF02149 PF00069 PF00627 6.9 Kd ChEMBL
Q13555 CAMK2G Homo sapiens Human PF08332 PF00069 6.6 Kd ChEMBL
P52333 JAK3 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.6 IC50 ChEMBL;BindingDB
P78368 CSNK1G2 Homo sapiens Human PF12605 PF00069 6.6 Kd ChEMBL
Q16513 PKN2 Homo sapiens Human PF02185 PF00069 PF00433 6.6 Kd ChEMBL
Q13557 CAMK2D Homo sapiens Human PF08332 PF00069 6.5 Kd ChEMBL
Q9BQI3 EIF2AK1 Homo sapiens Human PF22949 PF00069 6.5 Kd ChEMBL
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.3 Kd ChEMBL
Q13470 TNK1 Homo sapiens Human PF07714 PF22931 6.2 Kd ChEMBL
O75116 ROCK2 Homo sapiens Human PF25346 PF00069 PF08912 6.1 Kd ChEMBL
P49759 CLK1 Homo sapiens Human PF00069 6.1 Kd ChEMBL
O75385 ULK1 Homo sapiens Human PF12063 PF21127 PF00069 6.1 Kd ChEMBL
P07949 RET Homo sapiens Human PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 6.0 Kd ChEMBL
DrugBank Target Actions (15)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
O60674 JAK2 Tyrosine-protein kinase JAK2 inhibitor targets
P23458 JAK1 Tyrosine-protein kinase JAK1 inhibitor targets
P29597 TYK2 Non-receptor tyrosine-protein kinase TYK2 inhibitor targets
P52333 JAK3 Tyrosine-protein kinase JAK3 inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 substrate transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 substrate transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 substrate transporters