Molecule Details
| InChIKey | WIQRCHMSJFFONW-HNNXBMFYSA-N |
|---|---|
| Compound Name | Seproxetine |
| Canonical SMILES | NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06731 |
|---|---|
| Drug Name | Seproxetine |
| CAS Number | 126924-38-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Seproxetine is also known as (S)-norfluoxetine. It is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed. |
Categories: Antidepressive Agents Central Nervous System Depressants Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Selective Serotonin Reuptake Inhibitors Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 50254790 CHEMBL465123 ChemSpider: 2319851 Guide to Pharmacology: 208 IUPHAR: 208 PDB: 405 PubChem:3058751 PubChem:99443277 Wikipedia: Seproxetine ZINC: ZINC000000004531
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.3 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.4 | Ki | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| Q01959 | SLC6A3 | Sodium-dependent dopamine transporter | inhibitor | targets |