Molecule Details
| InChIKey | HEFNNWSXXWATRW-JTQLQIEISA-N |
|---|---|
| Compound Name | Dexibuprofen |
| Canonical SMILES | CC(C)Cc1ccc([C@H](C)C(=O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09213 |
|---|---|
| Drug Name | Dexibuprofen |
| CAS Number | 51146-56-6 |
| Groups | approved withdrawn |
| ATC Codes | M01AE14 |
| Description | Dexibuprofen, S(+)-ibuprofen, is a non-steroidal anti-inflammatory drug (NSAID). It is a pharmacologically effective enantiomer of racemic ibuprofen that differs in physicochemical properties. It is proposed to be more pharmacologically active and tolerable with a better safety profile than ibuprofe... |
Categories: Acids, Carbocyclic Agents causing hyperkalemia Agents that produce hypertension Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Substrates Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS Phenylpropionates Propionates UGT1A1 Substrates UGT1A3 substrates UGT1A9 Substrates UGT2B7 substrates
Cross-references: BindingDB: 50169047 ChEBI: 43415 CHEMBL175 ChemSpider: 36498 D03715 PDB: IBP PharmGKB: PA166049174 PubChem:39912 PubChem:310265120 Wikipedia: Dexibuprofen ZINC: ZINC000000002647
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25024 | CXCR1 | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL |
| P25025 | CXCR2 | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.1 | IC50 | ChEMBL;BindingDB |
| P60953 | CDC42 | Homo sapiens | Human | PF00071 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (30)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| D6RB81 | D6RB81 | Alpha-methylacyl-CoA racemase | substrate | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P06133 | P06133 | UDP-glucuronosyltransferase 2B4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | activator | targets |
| P07359 | P07359 | Platelet glycoprotein Ib alpha chain | binder | targets |
| P12104 | FABP2 | Fatty acid-binding protein, intestinal | binder | targets |
| P31151 | P31151 | Protein S100-A7 | binder | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | binder | targets |
| Q07869 | PPARA | Peroxisome proliferator-activated receptor alpha | binder | targets |
| P13569 | CFTR | Cystic fibrosis transmembrane conductance regulator | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| P00750 | PLAT | Tissue-type plasminogen activator | modulator | targets |
| P07204 | P07204 | Thrombomodulin | modulator | targets |
| P10415 | BCL2 | Apoptosis regulator Bcl-2 | negative modulator | targets |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | binder | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | binder | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | binder | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | binder | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | binder | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | binder | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | binder | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | binder | transporters |