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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with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20083
    role 20034
      biological role 20033
        aetiopathogenetic role 19297
          genotoxin 17578
            mutagen 17475
              hycanthone 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20083
    subatomic particle 20081
      composite particle 20081
        hadron 20081
          baryon 20081
            nucleon 20081
              atomic nucleus 20081
                atom 20081
                  main group element atom 19982
                    p-block element atom 19982
                      carbon group element atom 19909
                        carbon atom 19902
                          organic molecular entity 19902
                            organic molecule 19849
                              organic cyclic compound 19604
                                organic heterocyclic compound 18824
                                  organic heteropolycyclic compound 18293
                                    organic heterotricyclic compound 15612
                                      thioxanthenes 202
                                        lucanthone 195
                                          hycanthone 1
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