compound 20 [Bergeron et al., 2016]

Ligand id: 9171

Name: compound 20 [Bergeron et al., 2016]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 94.65
Molecular weight 479.23
XLogP 2.34
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
At 1μM, compound 20 inhibits only 2 out of 220 kinases tested by >50% [2]. One of these hits is CDK8/cyclin C, the other is the receptor tyrosine kinase, fms related tyrosine kinase 3 (FLT3). However, it shows only weak anti-proliferative activity in cell assays, which is in concordance with results with other type II CDK8 inhibitors [3].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 8 Hs Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.74x10-8 M) [2]