CHEMBL79161


SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIKey JJNSORDALXSHNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 413.2

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 7.27 7.27 7.27 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.83 8.83 8.83 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.05 9.05 9.05 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.8 8.8 8.8 ChEMBL