compound 66 [PMID: 21802293]

Ligand id: 8212

Name: compound 66 [PMID: 21802293]

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 134.45
Molecular weight 477.07
XLogP 3.24
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 66 inhibits the activity of BRAFV600E with an IC50 value of 0.7nM [1]. In the presence of 1μM compound 66, FGR, Src, FLT3, LCK, PTK6 and SRMS kinase activities are inhibited by >75% [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
src-related kinase lacking C-terminal regulatory tyrosine and N-terminal myristylation sites Hs Inhibitor Inhibition - - - 1
Description: Measured as % inhibition using 1μM compound.