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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:butoconazole
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Accession:CHEBI:3240 term browser browse the term
Definition:A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.
Synonyms:exact_synonym: 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole
 related_synonym: 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole;   Formula=C19H17Cl3N2S;   InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2;   InChIKey=SWLMUYACZKCSHZ-UHFFFAOYSA-N;   SMILES=Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1;   butoconazol;   butoconazolum
 alt_id: CHEBI:355508
 xref: CAS:64872-76-0;   DrugBank:DB00639;   Drug_Central:450;   KEGG:C08065;   KEGG:D07598;   LINCS:LSM-1344
 xref_mesh: MESH:C017125
 xref: Patent:US4078071;   Reaxys:627151;   Wikipedia:Butoconazole
 cyclic_relationship: is_conjugate_base_of CHEBI:61263


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butoconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO butoconazole results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases activity ISO butoconazole 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 19874
    role 19844
      application 19689
        pharmaceutical 19525
          drug 19525
            antifungal drug 5946
              imidazole antifungal drug 1580
                butoconazole 2
                  (R)-butaconazole 0
                  (S)-butoconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic heterocyclic compound 18868
                                  heteroarene 17151
                                    monocyclic heteroarene 14980
                                      azole 14503
                                        diazole 10770
                                          imidazoles 10220
                                            imidazole antifungal agent 1997
                                              imidazole antifungal drug 1580
                                                butoconazole 2
                                                  (R)-butaconazole 0
                                                  (S)-butoconazole 0
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