CHEMBL3342867


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 501.2

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 8.08 8.08 8.08 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.97 7.97 7.97 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.34 8.34 8.34 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database