Reboxetine
Chemical Properties
| SMILES | CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3 |
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 313.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | CBQGYUDMJHNJBX-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.34 | 5.34 | 5.34 | PDSP KiDatabase |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| D3 | DRD3 | Human | Dopamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |