CHEMBL3298022


SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1
InChIKey WJFLJWNZAPQFEZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 652.3

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 8.45 8.45 8.45 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database