compound 5j [PMID: 9216829]

Ligand id: 3099

Name: compound 5j [PMID: 9216829]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 20
Topological polar surface area 133.68
Molecular weight 706.33
XLogP 6.59
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
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
squalene synthase Rn Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.3x10-8 M) [1]
Description: In vitro inhibitory activity against Squalene Synthase. Enzyme from rat liver microsomes.