CHEMBL72372


SMILES S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1
InChIKey HEMGHPXVGLAJGV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 336.1

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
H3 HRH3 Guinea pig Histamine A pKd 8.1 8.1 8.1 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 5.8 5.8 5.8 ChEMBL
H4 HRH4 Human Histamine A pKi 6.9 6.9 6.9 ChEMBL
H2 HRH2 Human Histamine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pEC50 7.2 7.2 7.2 ChEMBL