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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:loxoprofen
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Accession:CHEBI:76172 term browser browse the term
Definition:A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration.
Synonyms:exact_synonym: 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
 related_synonym: (+-)-((2-oxocyclopentyl)methyl)hydratropic acid;   Formula=C15H18O3;   InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);   InChIKey=YMBXTVYHTMGZDW-UHFFFAOYSA-N;   SMILES=CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1;   loxoprofene;   loxoprofeno;   loxoprofenum
 xref: CAS:68767-14-6;   Drug_Central:1615;   HMDB:HMDB0041920;   KEGG:D08149;   LINCS:LSM-5054
 xref_mesh: MESH:C040656
 xref: Patent:EP1767218;   Patent:WO2008020270;   Reaxys:2860055;   Wikipedia:Loxoprofen
 cyclic_relationship: is_conjugate_acid_of CHEBI:76199


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loxoprofen term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Mpo myeloperoxidase increases activity EXP loxoprofen results in increased activity of MPO protein CTD PMID:20586851 NCBI chr10:75,087,892...75,098,260
Ensembl chr10:75,087,892...75,098,260
JBrowse link
G Muc2 mucin 2, oligomeric mucus/gel-forming multiple interactions
decreases expression
EXP lafutidine inhibits the reaction [loxoprofen results in decreased expression of MUC2] CTD PMID:20586851 NCBI chr 1:214,663,929...214,693,197 JBrowse link
G Nos2 nitric oxide synthase 2 increases expression
multiple interactions
EXP loxoprofen results in increased expression of NOS2
lafutidine inhibits the reaction [loxoprofen results in increased expression of NOS2]
CTD PMID:20586851 NCBI chr10:66,188,290...66,221,621
Ensembl chr10:66,189,786...66,313,190
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pro-agent 8830
          prodrug 8610
            loxoprofen 3
              (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        monocarboxylic acid 17407
                                          fatty acid 15845
                                            saturated fatty acid 15812
                                              propionic acid 3666
                                                loxoprofen 3
                                                  (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
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