CHEMBL3298749


SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1
InChIKey RJBQBCGUVQKYIY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 640.2

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 Human Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.57 8.57 8.57 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.43 9.43 9.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database