CHEMBL3298019


SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1
InChIKey NTCOZURJKJMLEZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 564.3

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 8.77 8.77 8.77 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.78 8.78 8.78 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.78 8.78 8.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database