compound 17d [PMID: 23099093]

Ligand id: 8196

Name: compound 17d [PMID: 23099093]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 91.41
Molecular weight 450.27
XLogP 3.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TANK binding kinase 1 Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
mitogen-activated protein kinase kinase kinase 7 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.2x10-8 M) [1]
microtubule affinity regulating kinase 3 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.2x10-8 M) [1]
inhibitor of nuclear factor kappa B kinase subunit epsilon Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3x10-8 M) [1]