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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: | 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. 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. 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. xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. |
| 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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