CHEMBL40819


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21
InChIKey AWELRFDLBAVQSC-IFXJQAMLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 492.1

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 Golden hamster Adrenoceptors A pKi 8.07 8.07 8.07 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database