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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Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group.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 1:121,549,839...121,838,545
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 8:6,073,216...6,131,552
Ensembl chr 8:6,072,673...6,131,344
JBrowse link

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  CHEBI ontology 19715
    role 19690
      application 19522
        pharmaceutical 19409
          drug 19409
            antineoplastic agent 17597
              RU 58668 7
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  CHEBI ontology 19715
    subatomic particle 19713
      composite particle 19713
        hadron 19713
          baryon 19713
            nucleon 19713
              atomic nucleus 19713
                atom 19713
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19606
                        carbon atom 19603
                          organic molecular entity 19603
                            organic molecule 19562
                              organic cyclic compound 19378
                                organic polycyclic compound 17154
                                  steroid 14355
                                    hydroxy steroid 14071
                                      17-hydroxy steroid 13736
                                        17beta-hydroxy steroid 12885
                                          RU 58668 7
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