Ligand id: 7792

Name: baricitinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 128.94
Molecular weight 371.12
XLogP 0.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Preclinical studies of baricitinib have shown it to be effective in rat models of rheumatoid arthritis [3].
A single patient with alopecia areata (AA) with comorbid CANDLE syndrome (a immunoproteasome-related disorder with a prominent interferon (IFN) signature, a disease feature shared with AA), recruited to a clinical trial testing baricitinib as a treatment for their CANDLE syndrome (NCT01724580) experienced significant hair regrowth [5]. Mechanistic assessment in a mouse AA model, confirmed that clinical improvement correlated with baricitinib-induced resolution of the IFN signature. Other JAK inhibitors such as tofacitinib and ruxolitinib have also been reported to promote hair regrowth in AA in early stage trials [2,6-7].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Janus kinase 1 Hs Inhibitor Inhibition 8.2 – 8.4 pIC50 - 1,3
pIC50 8.4 (IC50 4x10-9 M) [1]
pIC50 8.2 (IC50 5.9x10-9 M) [3]
Janus kinase 2 Hs Inhibitor Inhibition 8.1 – 8.2 pIC50 - 1,3
pIC50 8.2 (IC50 5.7x10-9 M) [3]
pIC50 8.1 (IC50 7x10-9 M) [1]
tyrosine kinase 2 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.1x10-8 M) [1]
Janus kinase 3 Hs Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 7.87x10-7 M) [1]