compound 8e [PMID: 24432909]

Ligand id: 8137

Name: compound 8e [PMID: 24432909]

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 160.44
Molecular weight 470.15
XLogP 1.89
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
Compound 8e effectively inhibits Alk phosphorylation in engineered cells lines expressing wild type and mutant Alk [1]. Compound 8e also inhibits kinase activity of ROS1, FER, LTK, TrkB, FES (IC50s all < 10nM) and several other kinases at IC50 values >10nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
FER tyrosine kinase Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2x10-9 M) [1]
FES proto-oncogene, tyrosine kinase Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
mitogen-activated protein kinase kinase kinase 9 Hs Inhibitor Inhibition 7.4 pIC50 - 2
pIC50 7.4 (IC50 3.8x10-8 M) [2]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
c-ros oncogene 1, receptor tyrosine kinase Hs Inhibitor Inhibition 10.7 pKi - 1
pKi 10.7 (Ki 2x10-11 M) [1]
Description: Value calculated from tight-binding (Morrison) equation for competitive inhibitors tested in a Pfizer mobility shift assay.
ALK receptor tyrosine kinase Hs Inhibitor Inhibition 9.1 pIC50 - 1
pIC50 9.1 (IC50 8x10-10 M) [1]
leukocyte receptor tyrosine kinase Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2x10-9 M) [1]
neurotrophic receptor tyrosine kinase 2 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]