compound 51 [Mallinger et al., 2016]

Ligand id: 9170

Name: compound 51 [Mallinger et al., 2016]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 99.16
Molecular weight 414.18
XLogP 2.26
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
Orally administered compound 51 inhibits CDK8 in a colorectal carcinoma human tumour xenograft model [3].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 8 Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 5.1x10-9 M) [3]
cyclin dependent kinase 19 Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 5.6x10-9 M) [3]