CHEMBL4867978


SMILES Fc1ccc2c(C3CCN(CCCOc4ccc(CCN5CCOCC5)cc4)CC3)noc2c1
InChIKey BTEMXIHCAGOPHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 467.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 6.01 6.01 6.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 ChEMBL
H3 HRH3 Human Histamine A pKi 7.85 7.85 7.85 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.02 8.02 8.02 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.98 7.98 7.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.46 6.46 6.46 ChEMBL
H3 HRH3 Human Histamine A pIC50 7.56 7.56 7.56 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.2 7.2 7.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.73 6.73 6.73 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.61 6.61 6.61 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.95 7.95 7.95 ChEMBL