17β-estradiol
SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C |
InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 0 |
Molecular weight (Da) | 272.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Endogenous |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 8.2 | 8.35 | 8.5 | Guide to Pharmacology |
GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKd | 8.5 | 8.55 | 8.6 | Guide to Pharmacology |
GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 8.24 | 8.35 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 4.42 | 4.42 | 4.42 | ChEMBL |
GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pEC50 | 8.02 | 8.02 | 8.02 | Drug Central |
GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |