fluparoxan
| SMILES | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 |
| InChIKey | XSOUHEXVEOQRKJ-IUCAKERBSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 195.1 |
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 | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.1 | 8.13 | 8.2 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.8 | 8.8 | 8.8 | PDSP Ki database |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.3 | 6.6 | 6.9 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.5 | 5.5 | 5.5 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |