atorvastatin lactone

Ligand id: 2957

Name: atorvastatin lactone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 80.56
Molecular weight 540.24
XLogP 8.84
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 rat enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.99x10-9 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Inhibition of HMG-CoA reductase activity in partially purified rat liver