compound 25b [PMID: 22564207]

Ligand id: 8139

Name: compound 25b [PMID: 22564207]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 114.63
Molecular weight 538.25
XLogP 2.21
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
Apart from Rsk 2, -3 and -4, compound 25b is minimally ten times more selective for ALK than any other kinase tested [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ribosomal protein S6 kinase A2 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
ribosomal protein S6 kinase A3 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.3x10-8 M) [1]
ribosomal protein S6 kinase A6 Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.9x10-8 M) [1]
NUAK family kinase 1 Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.6x10-8 M) [1]
Description: NuaK1 is reported by its synonym ARK5 in the referencing article.
checkpoint kinase 2 Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 2.9x10-8 M) [1]
FER tyrosine kinase Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 8.5x10-8 M) [1]
FES proto-oncogene, tyrosine kinase Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 9.9x10-8 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ALK receptor tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.9x10-9 M) [1]