compound 4a [Marquart et al., 1994]

Ligand id: 6707

Name: compound 4a [Marquart et al., 1994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 23.47
Molecular weight 295.29
XLogP 6.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
lanosterol synthase Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 4.3x10-7 M) [1]