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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: Beilstein:627151;   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 19917
    role 19887
      application 19729
        pharmaceutical 19563
          drug 19563
            antifungal drug 5952
              imidazole antifungal drug 1586
                butoconazole 2
                  (R)-butaconazole 0
                  (S)-butoconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      carbon group element atom 19794
                        carbon atom 19790
                          organic molecular entity 19790
                            organic molecule 19743
                              organic cyclic compound 19533
                                organic heterocyclic compound 18900
                                  heteroarene 17170
                                    monocyclic heteroarene 14996
                                      azole 14516
                                        diazole 10781
                                          imidazoles 10231
                                            imidazole antifungal agent 2004
                                              imidazole antifungal drug 1586
                                                butoconazole 2
                                                  (R)-butaconazole 0
                                                  (S)-butoconazole 0
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