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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
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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 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            antifungal drug 5174
              imidazole antifungal drug 828
                butoconazole 2
                  (R)-butaconazole 0
                  (S)-butoconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  heteroarene 16542
                                    monocyclic heteroarene 13505
                                      azole 12710
                                        diazole 8598
                                          imidazoles 7695
                                            imidazole antifungal agent 1304
                                              imidazole antifungal drug 828
                                                butoconazole 2
                                                  (R)-butaconazole 0
                                                  (S)-butoconazole 0
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