CHEMBL4867962


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1
InChIKey QTIAXUAWMLBIGP-NSHDSACASA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 360.2

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 4.75 4.75 4.75 ChEMBL
H2 HRH2 Human Histamine A pKi 7.29 7.29 7.29 ChEMBL
H1 HRH1 Human Histamine A pKi 4.67 4.67 4.67 ChEMBL
H3 HRH3 Human Histamine A pKi 4.48 4.48 4.48 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.61 7.61 7.61 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 6.64 6.64 6.64 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.57 5.57 5.57 ChEMBL