CHEMBL1242724


SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1
InChIKey JCZSBAKXMUXIIN-HFZDXXHNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 465.2

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
α1B ADA1B Human Adrenoceptors A pKi 7.07 7.07 7.07 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.4 7.4 7.4 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database