17β-estradiol

Ligand id: 1013

Name: 17β-estradiol

Abbreviated name: E2

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View more information in the IUPHAR Pharmacology Education Project: estradiol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 40.46
Molecular weight 272.18
XLogP 4.65
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!)

Natural/Endogenous Targets
Target
Estrogen receptor-α
Estrogen receptor-β
GPER
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GPER Agonist Full agonist 8.2 – 8.5 pKi - 5-6
pKi 8.2 – 8.5 [5-6]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
KCa1.1 Activator - 5.6 pEC50 - 7
pEC50 5.6 [7]
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 9.8 pKi - 3
pKi 9.8 [3]
Estrogen receptor-β Agonist Agonist 9.3 pKi - 3
pKi 9.3 [3]
Pregnane X receptor Agonist Agonist - - - 2
[2]
Targets where the ligand is described in the comment field
Target Comment
Ligand mentioned in the following text fields