Ligand id: 9301

Name: CHMFL-KIT-8140

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 114.05
Molecular weight 651.27
XLogP 5.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
CHMFL-KIT-8140 inhibits KIT T670I with an IC50 of 99nM [1]. Functionally, CHMFL-KIT-8140 inhibits proliferation of GISTs cancer cell lines harbouring wlid type KIT with an GI50 of 4nM, and cells with KIT T670I with a GI50 of 26nM.
To confirm findings of a biochemical kinase profile screen, experiments in cells showed that CHMFL-KIT-8140 also inhibited RET, and the other Tec family receptor tyrosine kinases FLT3, FLT4, CSF1R and PDGFRβ.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.3x10-8 M) [1]