compound 4 [Balasubramanian et al., 1992]

Ligand id: 2962

Name: compound 4 [Balasubramanian et al., 1992]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 124.19
Molecular weight 453.14
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Rn Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.1x10-6 M) [1]