CHEMBL4846380


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1
InChIKey MZDWSPIRGJHBII-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 350.2

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
H2 HRH2 Human Histamine A pKi 7.5 7.5 7.5 ChEMBL
H1 HRH1 Human Histamine A pKi 4.34 4.34 4.34 ChEMBL
H3 HRH3 Human Histamine A pKi 4.36 4.36 4.36 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.76 7.76 7.76 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
H4 HRH4 Human Histamine A pKi 4.34 4.34 4.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.63 6.63 6.63 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.99 6.99 6.99 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.97 5.97 5.97 ChEMBL