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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:neticonazole
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Accession:CHEBI:135281 term browser browse the term
Definition:An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.
Synonyms:exact_synonym: 1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole
 related_synonym: Atolant;   Formula=C17H22N2OS;   InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+;   InChIKey=VWOIKFDZQQLJBJ-DTQAZKPQSA-N;   SMILES=C(=C\\SC)(\\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2;   neticonazol;   neticonazolum
 xref: CAS:130726-68-0;   Drug_Central:1902
 xref_mesh: MESH:C084784
 xref: PMID:11156023;   PMID:16651719;   PMID:8254891;   PMID:8734665;   PMID:9062749;   Patent:CA2458026;   Patent:EP1568366;   Patent:EP227011;   Patent:US4740601;   Reaxys:5381743;   Wikipedia:Neticonazole
 cyclic_relationship: is_conjugate_base_of CHEBI:141384



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neticonazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 multiple interactions ISO neticonazole affects the localization of and results in increased activity of NR1I3 protein CTD PMID:30247703 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        pharmaceutical 19503
          drug 19471
            antifungal drug 5886
              neticonazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  heteroarene 17114
                                    monocyclic heteroarene 14850
                                      azole 14355
                                        diazole 10467
                                          imidazoles 9870
                                            imidazole antifungal agent 1997
                                              imidazole antifungal drug 1580
                                                neticonazole 1
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