compound 18 [PMID: 1875346]

Ligand id: 3028

Name: compound 18 [PMID: 1875346]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 111.16
Molecular weight 571.35
XLogP 7.59
No. Lipinski's rules broken 2

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 Rn Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: In vitro ability to inhibit solubilized, partially purified, rat liver HMG-CoA reductase