compound 3 [Tuttle et al., 2013]

Ligand id: 8815

Name: compound 3 [Tuttle et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.79
Molecular weight 270.1
XLogP 3.29
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 3 inhibits KATII activity with an IC50 of 23nM [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
L-Cysteine:2-oxoglutarate aminotransferase Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 2.04x10-6 M) [1]