CHEMBL3298024


SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1
InChIKey OMRDBXLTKZZDHE-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 9.0 9.0 9.0 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.12 8.12 8.12 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.64 8.64 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database