estradiol disulfate

Ligand id: 8802

Name: estradiol disulfate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 143.96
Molecular weight 432.09
XLogP 2.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Estradiol disulfate is reported to inhibit transport of dehydroepiandrosterone (DHEA) by multidrug resistance-associated protein 4 (ABCC4) [1].
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ABCC4 Hs Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2x10-7 M) [1]