CHEMBL4857560


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1
InChIKey GOPXEUGGDXDMDT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 394.3

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 pKi 5.43 5.43 5.43 ChEMBL
H2 HRH2 Human Histamine A pKi 7.15 7.15 7.15 ChEMBL
H1 HRH1 Human Histamine A pKi 5.42 5.42 5.42 ChEMBL
H3 HRH3 Human Histamine A pKi 5.13 5.13 5.13 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.88 6.88 6.88 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.32 6.32 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.52 7.14 7.76 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.52 6.52 6.52 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.77 5.77 5.77 ChEMBL