compound 51 [Mallinger et al., 2016]

Ligand id: 9170

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

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 99.16
Molecular weight 414.18
XLogP 2.43
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
Orally administered compound 51 inhibits CDK8 in a colorectal carcinoma human tumour xenograft model [3].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 8 Hs Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 5.1x10-9 M) [3]
cyclin dependent kinase 19 Hs Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 5.6x10-9 M) [3]