CHEMBL3298020


SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1
InChIKey HBKDXPFFGLQBAS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 553.2

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 8.41 8.41 8.41 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.41 7.41 7.41 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database