CHEMBL3342860


SMILES COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1
InChIKey AEOKAVWIADBGHU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 519.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.96 7.96 7.96 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.99 7.99 7.99 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database