compound 6a [Patil et al., 1989]

Ligand id: 2963

Name: compound 6a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 37.3
Molecular weight 274.19
XLogP 6.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Hs Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5x10-7 M) [1]
Description: Inhibition of HMGCoA reductase