CHEMBL3805431


SMILES N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1
InChIKey MMZLYDNVAYWZLR-JKSUJKDBSA-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 6.54 6.54 6.54 ChEMBL
H2 HRH2 Human Histamine A pKi 5.13 5.13 5.13 ChEMBL
H1 HRH1 Human Histamine A pKi 5.17 5.17 5.17 ChEMBL
H3 HRH3 Human Histamine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pEC50 6.26 6.26 6.26 ChEMBL