CHEMBL3806079


SMILES N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1
InChIKey MMZLYDNVAYWZLR-CVEARBPZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 368.2

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
H4 HRH4 Human Histamine A pKi 6.6 6.67 6.75 ChEMBL
H2 HRH2 Human Histamine A pKi 5.14 5.14 5.14 ChEMBL
H1 HRH1 Human Histamine A pKi 5.42 5.47 5.52 ChEMBL
H3 HRH3 Human Histamine A pKi 5.87 5.96 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pEC50 6.53 6.71 6.89 ChEMBL