CHEMBL80730


SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1
InChIKey KSGSACNIXHZDNP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 489.3

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 9.19 9.19 9.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.37 9.37 9.37 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.74 9.74 9.74 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.99 7.99 7.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database