CHEMBL4117079


SMILES COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIKey JJKMOFKIYHXREY-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 496.2

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
H1 HRH1 Guinea pig Histamine A pKd 8.7 8.7 8.7 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
H1 HRH1 Human Histamine A pKd 8.2 9.05 9.74 ChEMBL
H1 HRH1 Human Histamine A pKi 8.5 8.5 8.5 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
H2 HRH2 Human Histamine A pKd 5.1 5.1 5.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database