Molecule Details
| InChIKey | CBQGYUDMJHNJBX-RTBURBONSA-N |
|---|---|
| Canonical SMILES | CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00234 |
|---|---|
| Drug Name | Reboxetine |
| CAS Number | 71620-89-8 |
| Groups | approved investigational withdrawn |
| ATC Codes | N06AX18 |
| Description | Reboxetine is an antidepressant drug used in the treatment of clinical depression, panic disorder and ADD/ADHD. Its mesylate (i.e. methanesulfonate) salt is sold under tradenames including Edronax, Norebox, Prolift, Solvex, Davedax or Vestra. Reboxetine has two chiral centers, but it only exists as ... |
Categories: Adrenergic Agents Adrenergic Uptake Inhibitors Antidepressive Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Membrane Transport Modulators Morpholines Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Oxazines P-glycoprotein inhibitors Psychoanaleptics Psychotropic Drugs
Cross-references: BindingDB: 388642 ChEBI: 135342 CHEMBL383921 ChemSpider: 112870 PDB: 41X PharmGKB: PA144614921 PubChem:127151 PubChem:46504845 RxCUI: 60842 Therapeutic Targets Database: DAP000720 Wikipedia: Reboxetine ZINC: ZINC000003996032
Target Activities (2)
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |