ESTRADIOL BENZOATE


SMILES C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey UYIFTLBWAOGQBI-BZDYCCQFSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 376.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.45 5.45 5.45 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.13 5.13 5.13 ChEMBL
A3 AA3R Human Adenosine A pKi 4.91 4.91 4.91 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
A3 AA3R Human Adenosine A pKi 8.31 8.31 8.31 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pIC50 4.61 4.61 4.61 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 4.94 4.94 4.94 ChEMBL
A3 AA3R Human Adenosine A pIC50 4.66 4.66 4.66 ChEMBL