CHEMBL1078642


SMILES N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1
InChIKey DHHDEHNHEBYRPQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 342.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pKi 7.24 7.24 7.24 ChEMBL
H2 HRH2 Human Histamine A pKi 5.39 5.39 5.39 ChEMBL
H1 HRH1 Human Histamine A pKi 4.59 4.59 4.59 ChEMBL
H3 HRH3 Human Histamine A pKi 6.28 6.28 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pEC50 7.43 7.44 7.47 ChEMBL
H3 HRH3 Human Histamine A pEC50 6.14 6.14 6.14 ChEMBL