CHEMBL3597637


SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
InChIKey AENWLGXTORARIE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 452.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.85 7.85 7.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.68 7.68 7.68 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.77 8.77 8.77 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.7 8.7 8.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.37 7.37 7.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.37 7.37 7.37 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.23 7.23 7.23 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.8 7.8 7.8 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.2 7.2 7.2 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.0 5.0 5.0 ChEMBL