compound 9 [PMID: 7932551]

Ligand id: 3030

Name: compound 9 [PMID: 7932551]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 93.06
Molecular weight 518.36
XLogP 6.73
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 6.7 pIC50 - 1
pIC50 6.7 (IC50 2x10-7 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 36 nCi (1.3 kBq) HMG-CoA, NADP 3mM. Rat liver microsomes