CHEMBL3342872


SMILES COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1
InChIKey BHUCMEWUSAGOPR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 493.2

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
α1D ADA1D Human Adrenoceptors A pKi 8.01 8.01 8.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.1 8.1 8.1 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database