compound 1 [PMID: 24793884]

Ligand id: 8218

Name: compound 1 [PMID: 24793884]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.55
Molecular weight 250.04
XLogP 1.62
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cell division cycle 7 Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.23x10-7 M) [1]
cyclin dependent kinase 8 Hs Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.
mitogen-activated protein kinase kinase kinase 19 Hs Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.
TAO kinase 3 Hs Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 1μM compound.