compound 11nn [PMID: 1656041]

Ligand id: 3014

Name: compound 11nn [PMID: 1656041]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 102.71
Molecular weight 426.17
XLogP 4.15
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.5x10-7 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.91mM HMG-CoA, 50mM NADP. Inhibition of the incorporation of sodium [14C]-acetate into cholesterol in HEP G2 cells.
Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5x10-8 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.91mM HMG-CoA, 50mM NADP. In vitro inhibition of HMG-CoA reductase in solubilized rat liver.