PF-06651600

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Ligands
PF-06651600

Ligand id: 9559

Name: PF-06651600

Structure and Physico-chemical Properties

2D Structure

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 .

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

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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.