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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 chr10:72,594,458...72,608,862
Ensembl chr10:72,594,661...72,604,819
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 1:196,796,257...196,831,740 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 chr10:63,815,308...63,851,208
Ensembl chr10:63,815,308...63,851,210
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19823
    role 19773
      application 19486
        pro-agent 10100
          prodrug 9904
            loxoprofen 3
              (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      carbon group element atom 19643
                        carbon atom 19633
                          organic molecular entity 19633
                            organic group 18739
                              organic divalent group 18730
                                organodiyl group 18730
                                  carbonyl group 18678
                                    carbonyl compound 18678
                                      carboxylic acid 18376
                                        monocarboxylic acid 17639
                                          fatty acid 16011
                                            saturated fatty acid 15987
                                              propionic acid 3689
                                                loxoprofen 3
                                                  (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
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