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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:nitroflurbiprofen
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Accession:CHEBI:77428 term browser browse the term
Definition:A carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2.
Synonyms:exact_synonym: 4-(nitrooxy)butyl 2-(2-fluorobiphenyl-4-yl)propanoate
 related_synonym: 4-(Nitrooxy)butyl 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetate;   Flurbinitroxybutylester;   Formula=C19H20FNO5;   InChI=1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3;   InChIKey=DLWSRGHNJVLJAH-UHFFFAOYSA-N;   Nitroxybutyl flurbiprofen;   SMILES=C=1C=C(C=CC1)C2=C(F)C=C(C(C(=O)OCCCCO[N+](=O)[O-])C)C=C2
 xref: CAS:158836-71-6;   HMDB:HMDB0255648
 xref_mesh: MESH:C095631
 xref: PMID:11746392;   PMID:12835894;   PMID:14729123;   PMID:15202730;   PMID:15470334;   PMID:16491094;   PMID:17122968;   PMID:17258737;   PMID:17482436;   PMID:18465650;   PMID:18631321;   PMID:7495106;   PMID:7545516;   PMID:8528547;   PMID:8938015;   PMID:8982652;   PMID:9203938;   PMID:9343749;   PMID:9530274;   PMID:9974120;   Reaxys:8433798



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nitroflurbiprofen term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp1 caspase 1 decreases expression ISO nitroflurbiprofen results in decreased expression of CASP1 mRNA CTD PMID:15081244 NCBI chr 8:2,587,812...2,597,403
Ensembl chr 8:2,587,831...2,597,383
JBrowse link
G Cth cystathionine gamma-lyase multiple interactions EXP nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased expression of CTH mRNA] CTD PMID:16491094 NCBI chr 2:246,975,888...247,002,234
Ensembl chr 2:246,975,894...247,002,234
JBrowse link
G Il1b interleukin 1 beta multiple interactions EXP nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B protein] CTD PMID:16491094 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
JBrowse link
G Mpo myeloperoxidase multiple interactions EXP nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased activity of MPO protein] CTD PMID:16491094 NCBI chr10:72,594,458...72,608,862
Ensembl chr10:72,594,661...72,604,819
JBrowse link
G Nos2 nitric oxide synthase 2 decreases expression
multiple interactions
ISO
EXP
nitroflurbiprofen results in decreased expression of NOS2 mRNA
nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA]; nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 protein]
CTD PMID:8528547 PMID:15081244 PMID:16491094 NCBI chr10:63,815,308...63,851,208
Ensembl chr10:63,815,308...63,851,210
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions
decreases activity
ISO
EXP
nitroflurbiprofen inhibits the reaction [TNF protein results in increased activity of RELA protein]
nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased activity of RELA protein]
nitroflurbiprofen results in decreased activity of RELA protein
CTD PMID:12716482 PMID:16491094 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO
EXP
nitroflurbiprofen inhibits the reaction [TNF protein results in increased activity of RELA protein]
nitroflurbiprofen inhibits the reaction [Lipopolysaccharides results in increased expression of TNF protein]
CTD PMID:12716482 PMID:16491094 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      application 19737
        anti-inflammatory agent 16331
          anti-inflammatory drug 14850
            non-steroidal anti-inflammatory drug 14232
              nitroflurbiprofen 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic acid 18556
                                        monocarboxylic acid 17740
                                          fatty acid 16146
                                            saturated fatty acid 16122
                                              propionic acid 3749
                                                flurbiprofen 108
                                                  nitroflurbiprofen 7
paths to the root