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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:monepantel
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Accession:CHEBI:78621 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of p-[(trifluoromethyl)sulfanyl]benzoic acid with the amino group of (2S)-2-amino-3-hydroxy-2-methylpropanenitrile in which the hydroxy group has been converted to the corresponding 5-cyano-2-(trifluoromethyl)phenyl ether. A broad-spectrum nematicide, it is used to control gastrointestinal roundworms in sheep and goats.
Synonyms:exact_synonym: N-{(2S)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl}-4-[(trifluoromethyl)sulfanyl]benzamide
 related_synonym: Formula=C20H13F6N3O2S;   InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1;   InChIKey=WTERNLDOAPYGJD-SFHVURJKSA-N;   SMILES=C[C@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c1ccc(SC(F)(F)F)cc1)C#N;   ZOLVIX;   monepantelum
 xref: CAS:887148-69-8
 xref_mesh: MESH:C533978
 xref: PMID:19795134;   PMID:19898870;   PMID:20382949;   PMID:21257429;   PMID:21257441;   PMID:22075043;   PMID:22177334;   PMID:22576857;   PMID:23183590;   PMID:23950710;   PMID:23953148;   PMID:24212673;   PMID:24616229;   PMID:24647279;   Reaxys:12337563


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monepantel term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcg2 ATP binding cassette subfamily G member 2 multiple interactions
decreases metabolic processing		 ISO [ABCG2 protein mutant form results in decreased metabolism of monepantel] which results in decreased abundance of monepantel sulfone CTD PMID:38906501 NCBI chr 4:89,006,056...89,132,915
Ensembl chr 4:87,745,319...87,802,409 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    role 19880
      application 19720
        pesticide 18102
          nematicide 6493
            monepantel 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19216
                                  carbon oxoacid 18696
                                    carboxylic acid 18693
                                      carboacyl group 17718
                                        univalent carboacyl group 17718
                                          carbamoyl group 17564
                                            carboxamide 17564
                                              secondary carboxamide 1252
                                                monepantel 1
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