CHEMBL125989


SMILES Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O
InChIKey QINUQIXOUYBPRY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 620.2

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 8.19 8.19 8.19 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.46 7.46 7.46 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.14 9.14 9.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database