compound 1a [PMID: 17556356]

Ligand id: 2833

Name: compound 1a [PMID: 17556356]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 16.96
Molecular weight 332.23
XLogP 7.3
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
Estrogen-related receptor-α Antagonist Inverse agonist 6.7 pIC50 - 1
pIC50 6.7 [1]