Chemical Component Summary | |
|---|---|
| Name | IBUPROFEN |
| Synonyms | 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID |
| Identifiers | (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Formula | C13 H18 O2 |
| Molecular Weight | 206.281 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O |
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 |
| InChIKey | HEFNNWSXXWATRW-JTQLQIEISA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 33 |
| Chiral Atom Count | 1 |
| Bond Count | 33 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB09213? |
|---|---|
| Name | Dexibuprofen |
| Groups |
|
| 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 ibuprofen due to higher concentration of active S enantiomer. Dexibuprofen has a slower dissolution rate in the simulated gastric and enteric juices compared with the racemic ibuprofen and displays improved oral bioavilability [A19259]. For Metabolism, Enzymes, Carriers, Transporters Sections, refer to [Ibuprofen]. |
| Synonyms |
|
| Indication | For more information, refer to [ibuprofen]. |
| Categories |
|
| ATC-Code | M01AE14 |
| CAS number | 51146-56-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Prostaglandin G/H synthase 2 | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY... | unknown | inhibitor |
| Prostaglandin G/H synthase 1 | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG... | unknown | inhibitor |
| Apoptosis regulator Bcl-2 | MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFS... | unknown | negative modulator |
| Thrombomodulin | MLGVLVLGALALAGLGFPAPAEPQPGGSQCVEHDCFALYPGPATFLNASQ... | unknown | modulator |
| Tissue-type plasminogen activator | MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSYQVICRDEKTQMIY... | unknown | modulator |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL175 |
| PubChem | 39912 |
| ChEMBL | CHEMBL175 |
| ChEBI | CHEBI:43415 |
| CCDC/CSD | JEKNOC12, JEKNOC11, IBPRAC, SOGLAC, IBPRAC01, JEKNOC10, IBPRAC04, SODDIZ, JEKNOC, OWIGEH, ROQMAN, HUPPAJ, IBPRAC21, EQAKUF, EQAKOZ, QAKTAB |
| COD | 1559416, 4511599, 2006278, 4503558, 4503559, 2104678, 2300212, 2300213, 2300214, 2300216, 2300215, 2300217, 2300218, 2300219, 2300221, 2300224, 2209438 |
