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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:hycanthone
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Accession:CHEBI:52768 term browser browse the term
Definition:A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.
Synonyms:related_synonym: 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one;   1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one;   1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one;   Formula=C20H24N2O2S;   Hycanthon;   InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3;   InChIKey=MFZWMTSUNYWVBU-UHFFFAOYSA-N;   Lucanthone metabolite;   SMILES=CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12;   hicantona;   hycanthonum
 xref: Beilstein:1402722;   CAS:3105-97-3;   Drug_Central:1383;   KEGG:D00541;   LINCS:LSM-5614
 xref_mesh: MESH:D006826
 xref: PMID:1888160;   PMID:21935361;   PMID:2957147;   PMID:5573958;   PMID:626982;   PMID:7369442;   Patent:NL6410359;   Patent:US3294803;   Patent:US3312598;   Reaxys:1402722;   Wikipedia:Hycanthone
 cyclic_relationship: is_conjugate_base_of CHEBI:67141


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hycanthone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases activity ISO Hycanthone results in increased activity of NR1I2 protein CTD PMID:25455453 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
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  CHEBI ontology 19761
    role 19711
      biological role 19711
        aetiopathogenetic role 18963
          genotoxin 17330
            mutagen 17208
              hycanthone 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                organic heterocyclic compound 18510
                                  organic heteropolycyclic compound 17973
                                    organic heterotricyclic compound 14602
                                      thioxanthenes 202
                                        lucanthone 195
                                          hycanthone 1
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