CHEMBL4848815


SMILES CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1
InChIKey UGRVOYIHHOLSHQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 388.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pKi 5.17 5.17 5.17 ChEMBL
H2 HRH2 Human Histamine A pKi 7.11 7.11 7.11 ChEMBL
H1 HRH1 Human Histamine A pKi 5.1 5.1 5.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.19 7.19 7.19 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.28 6.28 6.28 ChEMBL
H3 HRH3 Human Histamine A pKi 4.78 4.78 4.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.57 7.05 7.54 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.39 7.39 7.39 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.95 5.95 5.95 ChEMBL