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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:indometacin
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Accession:CHEBI:49662 term browser browse the term
Definition:A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.
Synonyms:exact_synonym: [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
 related_synonym: 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid;   Aconip;   Formula=C19H16ClNO4;   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;   Indocin;   Indomethacin;   SMILES=COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1;   indometacina;   indometacine;   indometacinum;   {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
 alt_id: CHEBI:49660;   CHEBI:5918
 xref: Beilstein:497341;   CAS:53-86-1;   DrugBank:DB00328;   Drug_Central:1440;   Gmelin:1446006;   HMDB:HMDB0014473;   KEGG:C01926;   KEGG:D00141;   KNApSAcK:C00030512;   LINCS:LSM-3275
 xref_mesh: MESH:D007213
 xref: MetaCyc:CPD-10545;   PDBeChem:IMN;   PMID:22931205;   PMID:23992308;   PMID:28166217;   PMID:5952296;   PMID:6039425;   Patent:BE379378;   Patent:US3161654;   Reaxys:497341;   Wikipedia:Indometacin



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indometacin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G HEXB hexosaminidase subunit beta multiple interactions EXP Indomethacin promotes the reaction [mastoparan results in increased secretion of HEXB protein] CTD PMID:21671308 NCBI chr 2:57,221,809...57,248,432
Ensembl chr 2:57,222,186...57,248,417
JBrowse link
G PTGS1 prostaglandin-endoperoxide synthase 1 decreases activity EXP Indomethacin results in decreased activity of PTGS1 protein alternative form CTD PMID:12242329 NCBI chr 9:60,195,118...60,216,847
Ensembl chr 9:60,195,124...60,216,819
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 400
    role 402
      biological role 400
        xenobiotic 35
          indometacin 2
            acemetacin 0
            oxametacin 0
            proglumetacin + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 402
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 395
                    p-block element atom 395
                      carbon group element atom 382
                        carbon atom 383
                          organic molecular entity 381
                            organic group 311
                              organic divalent group 310
                                organodiyl group 310
                                  carbonyl group 310
                                    carbonyl compound 310
                                      carboxylic acid 275
                                        carboacyl group 215
                                          univalent carboacyl group 215
                                            carbamoyl group 213
                                              carboxamide 213
                                                N-acylindole 2
                                                  indometacin 2
                                                    acemetacin 0
                                                    oxametacin 0
                                                    proglumetacin + 0
paths to the root