CHEMBL5221451


SMILES N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1
InChIKey XQOLXGFKFIWXQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 332.1

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 pKd 7.91 7.91 7.91 ChEMBL
H2 HRH2 Human Histamine A pKi 7.57 7.57 7.57 ChEMBL
H1 HRH1 Human Histamine A pKi 5.25 5.25 5.25 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.13 7.13 7.13 ChEMBL
D3 DRD3 Human Dopamine A pKd 10.59 10.59 10.59 ChEMBL
D2 DRD2 Human Dopamine A pKd 10.83 10.83 10.83 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.34 5.34 5.34 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 7.31 7.81 8.31 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.17 7.17 7.17 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.47 5.47 5.47 ChEMBL