CHEMBL4865765


SMILES Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1
InChIKey IZCLJDQWYJTBAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 402.2

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 5.49 5.49 5.49 ChEMBL
H2 HRH2 Human Histamine A pKi 7.2 7.2 7.2 ChEMBL
H1 HRH1 Human Histamine A pKi 5.87 5.87 5.87 ChEMBL
H3 HRH3 Human Histamine A pKi 5.04 5.04 5.04 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.34 7.34 7.34 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.45 6.45 6.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.45 6.99 7.53 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.05 6.05 6.05 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.27 5.27 5.27 ChEMBL