EMBL-EBI | Chemical Biology Resources | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5855 - ibuprofen
| Formula | C13H18O2 |
| Net Charge | 0 |
| Average Mass | 206.285 |
| Monoisotopic Mass | 206.13068 |
| SMILES | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
| 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) |
| InChIKey | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. drug allergen Any drug which causes the onset of an allergic reaction. antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. cyclooxygenase 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. drug allergen Any drug which causes the onset of an allergic reaction. non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. antipyretic A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. anti-inflammatory agent Any compound that has anti-inflammatory effects. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. anticonvulsant A drug used to prevent seizures or reduce their severity. vasoconstrictor agent Drug used to cause constriction of the blood vessels. antirheumatic drug A drug used to treat rheumatoid arthritis. renoprotective agent Any compound that is able to prevent damage to the kidneys. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. vulnerary A drug used in treating and healing of wounds. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. anti-ulcer drug One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. hypoglycemic agent A drug which lowers the blood glucose level. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ibuprofen (CHEBI:5855) has functional parent propionic acid (CHEBI:30768) |
| ibuprofen (CHEBI:5855) has role analgesic (CHEBI:35480) |
| ibuprofen (CHEBI:5855) has role anti-HIV agent (CHEBI:64946) |
| ibuprofen (CHEBI:5855) has role anti-inflammatory agent (CHEBI:67079) |
| ibuprofen (CHEBI:5855) has role anti-ulcer drug (CHEBI:49201) |
| ibuprofen (CHEBI:5855) has role antibacterial agent (CHEBI:33282) |
| ibuprofen (CHEBI:5855) has role anticonvulsant (CHEBI:35623) |
| ibuprofen (CHEBI:5855) has role antidepressant (CHEBI:35469) |
| ibuprofen (CHEBI:5855) has role antihypertensive agent (CHEBI:35674) |
| ibuprofen (CHEBI:5855) has role antiinfective agent (CHEBI:35441) |
| ibuprofen (CHEBI:5855) has role antimalarial (CHEBI:38068) |
| ibuprofen (CHEBI:5855) has role antineoplastic agent (CHEBI:35610) |
| ibuprofen (CHEBI:5855) has role antipsychotic agent (CHEBI:35476) |
| ibuprofen (CHEBI:5855) has role antipyretic (CHEBI:35493) |
| ibuprofen (CHEBI:5855) has role antirheumatic drug (CHEBI:35842) |
| ibuprofen (CHEBI:5855) has role antitubercular agent (CHEBI:33231) |
| ibuprofen (CHEBI:5855) has role antiviral agent (CHEBI:22587) |
| ibuprofen (CHEBI:5855) has role cardiovascular drug (CHEBI:35554) |
| ibuprofen (CHEBI:5855) has role cyclooxygenase 1 inhibitor (CHEBI:50630) |
| ibuprofen (CHEBI:5855) has role cyclooxygenase 2 inhibitor (CHEBI:50629) |
| ibuprofen (CHEBI:5855) has role drug allergen (CHEBI:88188) |
| ibuprofen (CHEBI:5855) has role environmental contaminant (CHEBI:78298) |
| ibuprofen (CHEBI:5855) has role geroprotector (CHEBI:176497) |
| ibuprofen (CHEBI:5855) has role hypoglycemic agent (CHEBI:35526) |
| ibuprofen (CHEBI:5855) has role immunosuppressive agent (CHEBI:35705) |
| ibuprofen (CHEBI:5855) has role non-narcotic analgesic (CHEBI:35481) |
| ibuprofen (CHEBI:5855) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| ibuprofen (CHEBI:5855) has role radical scavenger (CHEBI:48578) |
| ibuprofen (CHEBI:5855) has role renoprotective agent (CHEBI:231911) |
| ibuprofen (CHEBI:5855) has role vasoconstrictor agent (CHEBI:50514) |
| ibuprofen (CHEBI:5855) has role vulnerary (CHEBI:73336) |
| ibuprofen (CHEBI:5855) has role xenobiotic (CHEBI:35703) |
| ibuprofen (CHEBI:5855) is a monocarboxylic acid (CHEBI:25384) |
| ibuprofen (CHEBI:5855) is conjugate acid of ibuprofen(1−) (CHEBI:132922) |
| Incoming Relation(s) |
| carboxyibuprofen (CHEBI:133199) has functional parent ibuprofen (CHEBI:5855) |
| ibuproxam (CHEBI:76160) has functional parent ibuprofen (CHEBI:5855) |
| dexibuprofen (CHEBI:43415) is a ibuprofen (CHEBI:5855) |
| levibuprofen (CHEBI:47835) is a ibuprofen (CHEBI:5855) |
| ibuprofen(1−) (CHEBI:132922) is conjugate base of ibuprofen (CHEBI:5855) |
| IUPAC Name |
|---|
| 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| INNs | Source |
|---|---|
| ibuprofene | WHO MedNet |
| ibuprofeno | WHO MedNet |
| Synonyms | Source |
|---|---|
| 2-(4-isobutylphenyl)propanoic acid | NIST Chemistry WebBook |
| (±)-2-(p-isobutylphenyl)propionic acid | ChemIDplus |
| 4-isobutylhydratropic acid | ChemIDplus |
| (4-isobutylphenyl)-α-methylacetic acid | ChemIDplus |
| Burana | ChEMBL |
| (±)-p-isobutylhydratropic acid | ChemIDplus |
| Brand Names | Source |
|---|---|
| Aches-n-pain | ChEMBL |
| Adran | DrugBank |
| Advil | DrugBank |
| Advil liqui-gels | ChEMBL |
| Advil migraine liqui-gels | ChEMBL |
| Amibufen | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2049713 | Reaxys |
| CAS:15687-27-1 | ChemIDplus |
| CAS:15687-27-1 | NIST Chemistry WebBook |
| CAS:15687-27-1 | KEGG COMPOUND |
| Citations |
|---|