Molecule Details
| InChIKey | VSZGPKBBMSAYNT-RRFJBIMHSA-N |
|---|---|
| Compound Name | Oseltamivir |
| Canonical SMILES | CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.91 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00198 |
|---|---|
| Drug Name | Oseltamivir |
| CAS Number | 196618-13-0 |
| Groups | approved investigational |
| ATC Codes | J05AH02 |
| Description | Oseltamivir (marketed as the product TamifluⓇ), is an antiviral neuraminidase inhibitor used for the treatment and prophylaxis of infection with influenza viruses A (including pandemic H1N1) and B. Oseltamivir exerts its antiviral activity by inhibiting the activity of the viral neuraminidase enzyme... |
Categories: Acetamides Acetates Amides Anti-Infective Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Direct Acting Antivirals Drugs that are Mainly Renally Excreted Neuraminidase Inhibitors OAT3/SLC22A8 Substrates
Cross-references: BindingDB: 5025 ChEBI: 7798 CHEMBL1229 ChemSpider: 58540 Drugs Product Database (DPD): 11956 C08092 D00900 PharmGKB: PA450721 PubChem:65028 PubChem:46507602 RxCUI: 260101 Therapeutic Targets Database: DAP000714 Wikipedia: Oseltamivir ZINC: ZINC000003929508
Target Activities (2)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P23141 | CES1 | Liver carboxylesterase 1 | substrate | enzymes |
| P11485 | P11485 | Neuraminidase | inhibitor | targets |
| Q99519 | Q99519 | Sialidase-1 | inhibitor | targets |
| Q9Y3R4 | Q9Y3R4 | Sialidase-2 | inhibitor | targets |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | substrate | transporters |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |