CHEMBL3805361


SMILES N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1
InChIKey MMZLYDNVAYWZLR-HOTGVXAUSA-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
Endogenous/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 7.0 7.33 7.66 ChEMBL
H2 HRH2 Human Histamine A pKi 4.99 4.99 4.99 ChEMBL
H1 HRH1 Human Histamine A pKi 5.19 5.21 5.22 ChEMBL
H3 HRH3 Human Histamine A pKi 5.67 5.79 5.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 6.78 6.78 6.78 ChEMBL
H4 HRH4 Human Histamine A pEC50 7.6 7.8 7.96 ChEMBL