CHEMBL58105


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21
InChIKey HKSUNNWTUBMNAB-GHTZIAJQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 473.2

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
α1D ADA1D Rat Adrenoceptors A pKi 8.36 8.36 8.36 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.95 7.95 7.95 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.11 8.11 8.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database