compound 29 [PMID: 1527791]

Ligand id: 3029

Name: compound 29 [PMID: 1527791]

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 408.25
XLogP 3.49
No. Lipinski's rules broken 0

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 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.4x10-6 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line