CHEMBL4846638


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1
InChIKey PMBDKZARCOUAFU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 380.2

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 pKi 5.72 5.72 5.72 ChEMBL
H2 HRH2 Human Histamine A pKi 7.4 7.4 7.4 ChEMBL
H1 HRH1 Human Histamine A pKi 5.63 5.63 5.63 ChEMBL
H3 HRH3 Human Histamine A pKi 5.0 5.0 5.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.36 7.36 7.36 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.65 7.16 7.66 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.58 6.58 6.58 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.49 5.49 5.49 ChEMBL