Molecule Details
| InChIKey | SUJUHGSWHZTSEU-FYBSXPHGSA-N |
|---|---|
| Compound Name | Tipranavir |
| Canonical SMILES | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.31 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00932 |
|---|---|
| Drug Name | Tipranavir |
| CAS Number | 174484-41-4 |
| Groups | approved |
| ATC Codes | J05AE09 |
| Description | Tipranavir is a sulfonamide-containing dyhydropyrone and a nonpeptidic protease inhibitor that targets the HIV protease. Tipranavir and ritonavir are coadministered to treat HIV. |
Categories: Amides Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Drugs causing inadvertant photosensitivity Enzyme Inhibitors HIV Protease Inhibitors Hepatotoxic Agents Hyperglycemia-Associated Agents OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Photosensitizing Agents Protease Inhibitors Pyrans Sulfones Sulfur Compounds UGT1A1 Inducers
Cross-references: BindingDB: 50479982 ChEBI: 63628 CHEMBL222559 ChemSpider: 10482313 Drugs Product Database (DPD): 12684 PDB: TPV PharmGKB: PA163522473 PubChem:54682461 PubChem:46506257 RxCUI: 190548 Therapeutic Targets Database: DAP001085 Wikipedia: Tipranavir ZINC: ZINC000100016058
Target Activities (2)
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q72874 | pol | Pol polyprotein | inhibitor | targets |
| P03366 | gag-pol | Gag-Pol polyprotein | modulator | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |