CHEMBL13903


SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1
InChIKey YCSBRVKGUOPSQB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 462.2

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
α1B ADA1B Human Adrenoceptors A pKi 8.73 8.73 8.73 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.24 9.24 9.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.06 9.06 9.06 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.61 9.61 9.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database