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