CHEMBL4856059


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1
InChIKey QTIAXUAWMLBIGP-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 360.2

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 4.87 4.87 4.87 ChEMBL
H2 HRH2 Human Histamine A pKi 7.75 7.75 7.75 ChEMBL
H1 HRH1 Human Histamine A pKi 5.06 5.06 5.06 ChEMBL
H3 HRH3 Human Histamine A pKi 4.36 4.36 4.36 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 7.34 7.34 7.34 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.81 7.81 7.81 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.47 6.47 6.47 ChEMBL