CHEMBL4863832


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

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 396.2

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 6.52 6.52 6.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.65 7.65 7.65 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.28 6.28 6.28 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.18 8.18 8.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 6.93 7.47 8.01 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.28 7.28 7.28 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.33 8.51 8.8 ChEMBL