CHEMBL5315364


SMILES COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIKey CEJBRQBGHDEPNJ-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 468.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 7.5 7.5 7.5 ChEMBL
H1 HRH1 Human Histamine A pKi 8.9 8.9 8.9 ChEMBL
H1 HRH1 Human Histamine A pKd 9.7 9.7 9.7 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database