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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:bithionol
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Accession:CHEBI:3131 term browser browse the term
Definition:An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.
Synonyms:exact_synonym: 2,2'-sulfanediylbis(4,6-dichlorophenol)
 related_synonym: 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide;   2,2'-Thiobis(4,6-dichlorophenol);   2-Hydroxy-3,5-dichlorophenyl sulfide;   Bis(3,5-dichloro-2-hydroxyphenyl) sulfide;   Bithin;   Bithionol sulfide;   Formula=C12H6Cl4O2S;   InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H;   InChIKey=JFIOVJDNOJYLKP-UHFFFAOYSA-N;   SMILES=Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
 xref: Beilstein:2003535;   CAS:97-18-7;   DrugBank:DB04813;   Drug_Central:3032;   KEGG:C07967;   KEGG:D00802;   LINCS:LSM-2862
 xref_mesh: MESH:D001735
 xref: PDBeChem:B1T;   PMID:17129675;   PMID:24495391;   PPDB:2889;   Pesticides:bithionol;   VSDB:2889;   Wikipedia:Bithionol


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bithionol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Bithionol inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link
G Thra thyroid hormone receptor alpha increases activity EXP Bithionol results in increased activity of THRA protein CTD PMID:22015988 NCBI chr10:86,657,285...86,684,935
Ensembl chr10:86,657,285...86,684,933
JBrowse link
G Thrb thyroid hormone receptor beta increases activity EXP Bithionol results in increased activity of THRB protein CTD PMID:22015988 NCBI chr15:8,890,578...9,239,815
Ensembl chr15:8,890,578...9,086,282
JBrowse link

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  CHEBI ontology 19816
    role 19764
      application 19426
        pesticide 16430
          organochlorine pesticide 6263
            bithionol 3
Path 2
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                carbocyclic compound 18222
                                  benzenoid aromatic compound 17254
                                    benzenes 17010
                                      chlorobenzenes 13342
                                        dichlorobenzene 10295
                                          bithionol 3
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