CHEMBL28313
| SMILES | CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1 |
| InChIKey | ZRWGXXAMGVLDQT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 337.1 |
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 |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.77 | 7.29 | 7.82 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |