tretoquinol


SMILES COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC
InChIKey RGVPOXRFEPSFGH-AWEZNQCLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 345.2

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
β1 ADRB1 Human Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Human Prostanoid A pIC50 8.2 8.2 8.2 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 8.12 8.12 8.12 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 8.17 8.17 8.17 Drug Central