CHEMBL292759
| SMILES | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 |
| InChIKey | OZYPUQNRUYTZDI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 439.1 |
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-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |