CHEMBL1242818


SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1
InChIKey YXYDEEZYQMLTIS-WXVAWEFUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 479.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.33 7.33 7.33 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.18 8.18 8.18 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.49 7.49 7.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database