PF-06651600

Ligand id: 9559

Name: PF-06651600

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.91
Molecular weight 285.16
XLogP 1.92
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
PF-06651600 exhibits favourable selectivity against a screening panel of 305 kinases in vitro, and shows measurable inhibition of 7 of the 10 other kinases which share a cysteine residue analogous to Cys-909 in the JAK3 ATP binding site (these were BMX, ITK, TXK, TEC, BTK, BLK and HER4) [3].
ATP concentration for JAK3 is 4 μM at Km and for JAK1 is 40 μM at Km, but some assays reported in [3] were carried out at 1 mM ATP .
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Janus kinase 3 Hs Inhibitor Inhibition 9.5 pIC50 -
pIC50 9.5 (IC50 3x10-10 M)
Description: At 4 μM ATP (Km).
Janus kinase 1 Hs Inhibitor Inhibition 5.8 pIC50 - 3
pIC50 5.8 (IC50 1.64x10-6 M) [3]
Description: At 1 mM ATP.