tofacitinib

Ligand id: 5677

Name: tofacitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 88.91
Molecular weight 312.17
XLogP 0.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Additional kinases inhibited by tofacitinib in biochemical and cellular assays are described in [8]. Tofacitinib is also reported to exhibit immunosuppressive activity which prevents organ rejection in mice and primates [2].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Janus kinase 3 Inhibitor Inhibition 6.7 – 9.0 pIC50 - 2,5,8
pIC50 8.2 (IC50 6x10-9 M) [8]
pIC50 6.7 – 9.0 (IC50 2.1x10-7 – 1x10-9 M) [2,5]
protein kinase N1 Inhibitor Inhibition 6.9 pIC50 - 8
pIC50 6.9 (IC50 1.22x10-7 M) [8]