compound 9 [PMID: 11606127]

Ligand id: 8833

Name: compound 9 [PMID: 11606127]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 356.13
XLogP 4.14
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!)

Bioactivity Comments
Compound 9 is selective for CYP2C18 compared to the other 2C family members tested [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CYP2C18 Inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3x10-6 M) [1]