compound 27 [PMID: 21123062]

Ligand id: 8210

Name: compound 27 [PMID: 21123062]

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 99.25
Molecular weight 510.19
XLogP 5.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
In a selectivity profile screen, compound 27 inhibits many other kinases by >90% at 1μM [1] (see the article's Supplementary data).
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Serine/threonine kinase 38 like Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.
serine/threonine kinase 16 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MET proto-oncogene, receptor tyrosine kinase Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1x10-8 M) [1]