CHEMBL13754


SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
InChIKey MTWNRUIQFUUTJU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 476.2

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
α1A ADA1A Bovine Adrenoceptors A pKi 9.42 9.42 9.42 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.43 8.43 8.43 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.71 8.71 8.71 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.33 9.33 9.33 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.58 8.58 8.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database