CHEMBL2115086


SMILES COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21
InChIKey CAEZRWQRXPFXAO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 397.1

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 Human Adrenoceptors A pKi 8.79 8.79 8.79 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.86 8.86 8.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database