CHEMBL5222926


SMILES C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1
InChIKey CDGJSIMJNZNZFE-SNVBAGLBSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 347.2

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 pKd 7.91 7.91 7.91 ChEMBL
H2 HRH2 Human Histamine A pKi 7.89 7.89 7.89 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 pKi 5.49 5.49 5.49 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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.55 7.12 7.7 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.97 5.97 5.97 ChEMBL