compound 18 [PMID: 8426367]

Ligand id: 2961

Name: compound 18 [PMID: 8426367]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 456.4
XLogP 10.4
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
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 1x10-6 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: HMG-coA expressed in CHO cells