CHEMBL4856005


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1
InChIKey VFGWQQNKIVMZLG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 346.2

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 4.72 4.72 4.72 ChEMBL
H2 HRH2 Human Histamine A pKi 7.16 7.16 7.16 ChEMBL
H1 HRH1 Human Histamine A pKi 5.21 5.21 5.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.34 7.34 7.34 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.22 6.22 6.22 ChEMBL
H3 HRH3 Human Histamine A pKi 4.71 4.71 4.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 7.0 7.27 7.54 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.47 7.47 7.47 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.78 5.78 5.78 ChEMBL