bardoxolone

Ligand id: 2717

Name: bardoxolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 95.23
Molecular weight 491.3
XLogP 6.3
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 human nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ Agonist Partial agonist 8.0 pKi - 4
pKi 8.0 [4]
Selectivity at human other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
kelch like ECH-associated protein 1 None Binding >7.0 pIC50 - 1
pIC50 >7.0 (IC50 <1x10-7 M) [1]
Description: Measuring inhibition of KEAP1 binding to Cul3 using an AlphaScreen bead-based proximity assay.