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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:1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine
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Accession:CHEBI:82979 term browser browse the term
Definition:A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively.
Synonyms:related_synonym: Formula=C26H31Cl2N5O3;   InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3;   InChIKey=BLSQLHNBWJLIBQ-UHFFFAOYSA-N;   SMILES=CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1



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terconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G F3 coagulation factor III, tissue factor increases expression ISO terconazole results in increased expression of F3 protein CTD PMID:25569083 NCBI chr 2:209,827,061...209,838,666
Ensembl chr 2:209,826,959...209,838,668
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO terconazole 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 Slc22a2 solute carrier family 22 member 2 multiple interactions ISO terconazole inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19757
    role 19730
      application 19563
        refrigerant 18121
          ammonia 17617
            organic amino compound 17617
              tertiary amino compound 9929
                N-alkylpiperazine 3363
                  1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine 3
                    (2R,4S)-terconazole + 3
                    (2S,4R)-terconazole + 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19757
    subatomic particle 19755
      composite particle 19755
        hadron 19755
          baryon 19755
            nucleon 19755
              atomic nucleus 19755
                atom 19755
                  main group element atom 19703
                    main group molecular entity 19703
                      s-block molecular entity 19557
                        hydrogen molecular entity 19550
                          hydrides 19031
                            inorganic hydride 17955
                              pnictogen hydride 17940
                                nitrogen hydride 17836
                                  azane 17618
                                    ammonia 17617
                                      organic amino compound 17617
                                        tertiary amino compound 9929
                                          N-alkylpiperazine 3363
                                            1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine 3
                                              (2R,4S)-terconazole + 3
                                              (2S,4R)-terconazole + 3
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