Ligand Id: 3025
Ligand name (1S,3Z)-3-{2-[(1R,3aS,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-octahydro-1H-inden-4-yl]ethylidene}-4,4-dimethylcyclohexan-1-ol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 40.46
Molecular weight 418.38
XLogP 9.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands

Selectivity data from IUPHAR-DB

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Receptor Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 6.52 pIC50 - 1

Please note: The activity data given on this ligand page represents selected literature values and may not include all reported data.
For more details please contact: curators@iuphar-db.org