CHEMBL338029


SMILES Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O
InChIKey OTPCOGQCPMOGMX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 600.3

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 8.92 8.92 8.92 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.64 8.64 8.64 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 10.03 10.03 10.03 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database