CHEMBL4875081


SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1
InChIKey SREQHVVABVWCKT-APWZRJJASA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 412.2

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
D4 DRD4 Human Dopamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.94 5.94 5.94 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.48 7.48 7.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 6.89 7.39 7.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.23 7.23 7.23 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.08 8.41 8.69 ChEMBL