ruxolitinib

Ligand id: 5688

Name: ruxolitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 83.18
Molecular weight 306.16
XLogP 1.73
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Janus kinase 1 Hs Inhibitor Inhibition 8.2 – 10.1 pIC50 - 1,3,5
pIC50 8.5 – 10.1 (IC50 3.3x10-9 – 9x10-11 M) [3,5]
pIC50 8.2 (IC50 6x10-9 M) [1]
Janus kinase 2 Hs Inhibitor Inhibition 8.1 – 9.6 pIC50 - 1,3,5
pIC50 8.6 – 9.6 (IC50 2.8x10-9 – 2.4x10-10 M) [3,5]
pIC50 8.1 (IC50 9x10-9 M) [1]
tyrosine kinase 2 Hs Inhibitor Inhibition 7.5 – 9.3 pIC50 - 1,3
pIC50 9.3 (IC50 5.5x10-10 M) [3]
pIC50 7.5 (IC50 3x10-8 M) [1]
Janus kinase 3 Hs Inhibitor Inhibition 6.3 – 8.5 pIC50 - 1,3
pIC50 8.5 (IC50 3.22x10-9 M) [3]
pIC50 6.3 (IC50 4.87x10-7 M) [1]