CHEMBL3342873


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 425.2

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 7.63 7.63 7.63 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.73 7.73 7.73 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.84 6.84 6.84 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.44 6.44 6.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database