CHEMBL338608


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 609.3

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 8.33 8.33 8.33 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.21 8.21 8.21 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.8 9.8 9.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.38 8.38 8.38 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database