CHEMBL3298021


SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1
InChIKey PTNLKWJYWYHWJE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 567.2

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 8.47 8.47 8.47 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.48 8.48 8.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database