compound 27f [PMID: 25625617]

Ligand id: 9238

Name: compound 27f [PMID: 25625617]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 92.58
Molecular weight 516.25
XLogP 4.69
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 27f is selective for TTK in a selectivity screen of >190 kinases. Its cellular IC50 is 0.7nM, and it inhibits proliferation of A549 cells with an IC50 of 6nM [1].
Selectivity at Human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TTK protein kinase Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.8x10-9 M) [1]
Description: Biochemical assay