compound 4i [PMID: 2296036]

Ligand id: 2968

Name: compound 4i [PMID: 2296036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.42
Molecular weight 433.21
XLogP 7.45
No. Lipinski's rules broken 1

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
hydroxymethylglutaryl-CoA reductase Hs Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.7x10-7 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Concentration of substrates: NADP=50mM HMG-CoA=0.91mM. Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into cholesterol.