CHEMBL5221757


SMILES CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1
InChIKey KGGHECZDYBMALC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 312.2

Drug properties

Molecular type Small molecule
Physiological/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 pKd 7.8 7.8 7.8 ChEMBL
H2 HRH2 Human Histamine A pKi 7.64 7.64 7.64 ChEMBL
H2 HRH2 Human Histamine A pKd 7.91 7.91 7.91 ChEMBL
H1 HRH1 Human Histamine A pKi 5.02 5.02 5.02 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
D3 DRD3 Human Dopamine A pKd 10.59 10.59 10.59 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.5 7.5 7.5 ChEMBL
D2 DRD2 Human Dopamine A pKd 10.83 10.83 10.83 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.46 5.46 5.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 7.25 7.74 8.22 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.4 7.4 7.4 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.85 5.85 5.85 ChEMBL