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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:SC-58125
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Accession:CHEBI:8983 term browser browse the term
Definition:A member of the class of pyrazoles that is 1H-pyrazole substituted by a 4-fluorophenyl group at position 5, a 4-(methylsulfonyl)phenyl group at position 1 and a trifluoromethyl group at position 3. A selective cyclooxygenase 2 inhibitor, it exhibits anticancer property.
Synonyms:exact_synonym: 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole
 related_synonym: 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole;   Formula=C17H12F4N2O2S;   InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3;   InChIKey=JHBIMJKLBUMNAU-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
 xref: CAS:162054-19-5;   KEGG:C11705;   LINCS:LSM-6646
 xref_mesh: MESH:C090859
 xref: PMID:11218076;   PMID:11687954;   PMID:16116973;   Reaxys:7391749


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SC-58125 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Atf3 activating transcription factor 3 increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of ATF3 mRNA; 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of ATF3 protein CTD PMID:14633654 PMID:15897233 NCBI chr13:102,751,278...102,800,520
Ensembl chr13:102,751,321...102,764,631
JBrowse link
G Cyp19a1 cytochrome P450, family 19, subfamily a, polypeptide 1 decreases activity
decreases expression
ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of CYP19A1 protein
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased expression of CYP19A1 mRNA
CTD PMID:15964185 NCBI chr 8:54,553,165...54,580,758
Ensembl chr 8:54,553,165...54,580,758
JBrowse link
G Il1b interleukin 1 beta multiple interactions ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole inhibits the reaction [IL1B results in increased chemical synthesis of 8-epi-prostaglandin F2alpha]; 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole inhibits the reaction [IL1B results in increased chemical synthesis of Dinoprostone] CTD PMID:16529823 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
JBrowse link
G Pawr pro-apoptotic WT1 regulator increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of PAWR mRNA CTD PMID:10833474 NCBI chr 7:43,645,028...43,725,033
Ensembl chr 7:43,645,084...43,725,028
JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 decreases activity ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of PTGS1 protein CTD PMID:9146894 NCBI chr 3:19,584,015...19,605,589
Ensembl chr 3:19,584,015...19,605,586
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 decreases activity
multiple interactions
ISO
EXP
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of PTGS2 protein
[1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole binds to and results in decreased activity of PTGS2 protein] which results in decreased susceptibility to Streptozocin
CTD PMID:14633654 PMID:17112505 NCBI chr13:62,164,080...62,169,770
Ensembl chr13:62,163,932...62,172,188
JBrowse link
G Tnfrsf10b TNF receptor superfamily member 10b increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of TNFRSF10A protein CTD PMID:15572759 NCBI chr15:44,839,818...44,867,582 JBrowse link

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  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            antineoplastic agent 17317
              SC-58125 7
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  heteroarene 16530
                                    monocyclic heteroarene 13437
                                      azole 12628
                                        diazole 8394
                                          pyrazoles 1907
                                            SC-58125 7
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