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CHEBI:49662 - indometacin
| Formula | C19H16ClNO4 |
| Net Charge | 0 |
| Average Mass | 357.793 |
| Monoisotopic Mass | 357.07679 |
| SMILES | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| InChIKey | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | 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 metabolite Any metabolite produced by metabolism of a xenobiotic compound. 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. EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. 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. |
| Applications: | 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. gout suppressant A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indometacin (CHEBI:49662) has role analgesic (CHEBI:35480) |
| indometacin (CHEBI:49662) has role drug metabolite (CHEBI:49103) |
| indometacin (CHEBI:49662) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) |
| indometacin (CHEBI:49662) has role environmental contaminant (CHEBI:78298) |
| indometacin (CHEBI:49662) has role gout suppressant (CHEBI:35845) |
| indometacin (CHEBI:49662) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| indometacin (CHEBI:49662) has role xenobiotic (CHEBI:35703) |
| indometacin (CHEBI:49662) has role xenobiotic metabolite (CHEBI:76206) |
| indometacin (CHEBI:49662) is a N-acylindole (CHEBI:75884) |
| indometacin (CHEBI:49662) is a aromatic ether (CHEBI:35618) |
| indometacin (CHEBI:49662) is a indole-3-acetic acids (CHEBI:24803) |
| indometacin (CHEBI:49662) is a monochlorobenzenes (CHEBI:83403) |
| Incoming Relation(s) |
| acemetacin (CHEBI:31162) has functional parent indometacin (CHEBI:49662) |
| oxametacin (CHEBI:76255) has functional parent indometacin (CHEBI:49662) |
| proglumetacin (CHEBI:76263) has functional parent indometacin (CHEBI:49662) |
| IUPAC Name |
|---|
| [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid |
| INNs | Source |
|---|---|
| indometacin | ChemIDplus |
| indometacina | ChemIDplus |
| indometacine | ChemIDplus |
| indometacinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | PDBeChem |
| 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid | ChemIDplus |
| Indocin | ChemIDplus |
| Indomethacin | KEGG COMPOUND |
| Brand Names | Source |
|---|---|
| Aconip | KEGG DRUG |
| Indocin | KEGG DRUG |
| Citations |
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