diethylstilbestrol

Ligand id: 2801

Name: diethylstilbestrol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 40.46
Molecular weight 268.15
XLogP 5.66
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 receptor-α Agonist Agonist 10.4 pKi - 2
pKi 10.4 [2]
Estrogen receptor-β Agonist Agonist 9.8 pKi - 2
pKi 9.8 [2]
Estrogen-related receptor-β Antagonist Antagonist 4.8 – 5.3 pIC50 - 3
pIC50 4.8 – 5.3 [3]
Estrogen-related receptor-γ Antagonist Antagonist 4.8 – 5.3 pIC50 - 1,3
pIC50 4.8 – 5.3 [1,3]
Selectivity at mouse 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 Antagonist 4.8 – 5.3 pIC50 - 3
pIC50 4.8 – 5.3 [3]