ETHINYL ESTRADIOL


SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
InChIKey BFPYWIDHMRZLRN-SLHNCBLASA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Molecular weight (Da) 296.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 4.73 4.73 4.73 ChEMBL
κ OPRK Human Opioid A pKi 4.99 4.99 4.99 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.93 4.93 4.93 ChEMBL
μ OPRM Human Opioid A pKi 4.96 4.96 4.96 ChEMBL
κ OPRK Human Opioid A pKi 8.3 8.3 8.3 Drug Central
μ OPRM Human Opioid A pKi 8.3 8.3 8.3 Drug Central
A2A AA2AR Human Adenosine A pKi 8.31 8.31 8.31 Drug Central
A3 AA3R Human Adenosine A pKi 8.33 8.33 8.33 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 4.48 4.48 4.48 ChEMBL
κ OPRK Human Opioid A pIC50 4.59 4.59 4.59 ChEMBL
A2A AA2AR Human Adenosine A pIC50 4.68 4.68 4.68 ChEMBL
μ OPRM Human Opioid A pIC50 4.57 4.57 4.57 ChEMBL