CHEMBL4862890


SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIKey KXRNXSYVAAEIGF-XLIONFOSSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 410.2

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 6.91 6.91 6.91 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.91 6.91 6.91 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.13 7.13 7.13 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.46 7.46 7.46 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.28 7.79 8.29 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.02 7.02 7.02 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.03 8.2 8.44 ChEMBL