CHEMBL3819742
SMILES | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 |
InChIKey | YSXQGNHRJOWSCW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 317.1 |
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 | Rat | Dopamine | A | pKi | 6.34 | 6.37 | 6.39 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.64 | 7.64 | 7.65 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.37 | 6.38 | 6.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |