CHEMBL6070400
| SMILES | COc1cc([Se]C(F)(F)F)c(OC)cc1CCN |
| InChIKey | ODGBUUUVMLDZBP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 329.0 |
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-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.85 | 7.92 | 8.0 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.02 | 7.59 | 8.17 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.49 | 7.5 | 7.5 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.39 | 8.47 | 8.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 7.05 | 7.6 | 8.14 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.44 | 8.45 | 8.45 | ChEMBL |