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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:RU 58668
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Accession:CHEBI:90223 term browser browse the term
Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM).
Synonyms:exact_synonym: 11beta-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-triene-3,17beta-diol
 related_synonym: (11beta,17beta)-11-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-triene-3,17-diol;   11beta-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]-17beta-estradiol;   Formula=C34H43F5O5S;   InChI=1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28+,29-,30-,31+,32-/m0/s1;   InChIKey=SDCUWFRXMLQNCS-LFAPAAFUSA-N;   RU 58,668;   RU58668;   SMILES=[C@]12(CCC3=C([C@]1([C@H](C[C@@]4(C)[C@@]2([H])CC[C@@H]4O)C5=CC=C(C=C5)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)[H])C=CC(=C3)O)[H]
 xref: CAS:151555-47-4
 xref_mesh: MESH:C086511
 xref: PMID:12880293;   PMID:14757510;   PMID:16753295;   PMID:7625719;   PMID:8142294;   PMID:8879676;   PMID:9010350;   PMID:9355049;   Reaxys:7454158


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RU 58668 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ahr aryl hydrocarbon receptor multiple interactions ISO [RU 58668 results in increased activity of AHR protein] which results in increased expression of CYP1A1 mRNA CTD PMID:19901195 NCBI chr 6:52,234,089...52,271,568
Ensembl chr 6:52,234,089...52,271,568 		JBrowse link
G Bcl2 BCL2, apoptosis regulator affects expression ISO RU 58668 affects the expression of BCL2 protein CTD PMID:15868441 NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743
Ensembl chr13:22,684,989...22,853,743 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression
multiple interactions		 ISO RU 58668 results in increased expression of CYP1A1 mRNA
[RU 58668 results in increased activity of AHR protein] which results in increased expression of CYP1A1 mRNA; RU 58668 inhibits the reaction [Tetrachlorodibenzodioxin results in increased activity of CYP1A1 protein]		 CTD PMID:18493746 PMID:19901195 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G Esr1 estrogen receptor 1 multiple interactions ISO RU 58668 inhibits the reaction [Estradiol results in increased activity of ESR1 protein]; RU 58668 promotes the reaction [fulvestrant inhibits the reaction [Genistein results in increased activity of ESR1 protein]]; RU 58668 results in decreased stability of and results in decreased expression of ESR1 protein CTD PMID:15868441 PMID:20599613 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002 		JBrowse link
G Igf1r insulin-like growth factor 1 receptor affects expression ISO RU 58668 affects the expression of IGF1R protein CTD PMID:15868441 NCBI chr 1:121,549,831...121,838,548
Ensembl chr 1:121,550,743...121,831,777 		JBrowse link
G Igfbp2 insulin-like growth factor binding protein 2 affects expression ISO RU 58668 affects the expression of IGFBP2 protein CTD PMID:15868441 NCBI chr 9:74,415,574...74,442,945
Ensembl chr 9:74,415,546...74,442,937 		JBrowse link
G Pgr progesterone receptor affects expression ISO RU 58668 affects the expression of PGR protein CTD PMID:15868441 NCBI chr 8:6,072,673...6,131,552
Ensembl chr 8:6,072,673...6,131,344 		JBrowse link
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  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            antineoplastic agent 17823
              RU 58668 7
Path 2
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  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic polycyclic compound 17291
                                  steroid 14716
                                    hydroxy steroid 14466
                                      17-hydroxy steroid 14107
                                        17beta-hydroxy steroid 13362
                                          RU 58668 7
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