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 GtoPdb and ChEMBL (where available) across species

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 enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TTK protein kinase Hs Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.8x10-9 M) [1]
Description: Biochemical assay