compound 8h [PMID: 22765894]

Ligand id: 8175

Name: compound 8h [PMID: 22765894]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 73.05
Molecular weight 447.18
XLogP 3.69
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
Compound 8h-induced inhibition of receptor tyrosine kinases translates in to potent antitumour activity in vivo [1].
We have tagged FLT3 as the primary molecular target of compound 8h for data metric purposes only. We fully acknowledge the multi-targeted nature of this compound and include reported kinase interactions in the table below.
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 A3 Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
mitogen-activated protein kinase kinase kinase kinase 3 Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.5x10-8 M) [1]
SRC proto-oncogene, non-receptor tyrosine kinase Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.3x10-8 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
fms related tyrosine kinase 3 Inhibitor Inhibition 9.1 pIC50 - 1
pIC50 9.1 (IC50 8.5x10-10 M) [1]
platelet derived growth factor receptor beta Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.3x10-9 M) [1]
platelet derived growth factor receptor alpha Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
fms related tyrosine kinase 4 Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.2x10-9 M) [1]
kinase insert domain receptor Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.2x10-9 M) [1]
fibroblast growth factor receptor 1 Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 5.7x10-9 M) [1]
fms related tyrosine kinase 1 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7.2x10-9 M) [1]
KIT proto-oncogene receptor tyrosine kinase Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.1x10-8 M) [1]