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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 2:225,310,686...225,322,281
Ensembl chr 2:225,310,624...225,322,272
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        refrigerant 17478
          ammonia 17016
            organic amino compound 17015
              tertiary amino compound 8654
                N-alkylpiperazine 3089
                  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 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        hydrogen molecular entity 19416
                          hydrides 18755
                            inorganic hydride 17460
                              pnictogen hydride 17435
                                nitrogen hydride 17281
                                  azane 17017
                                    ammonia 17016
                                      organic amino compound 17015
                                        tertiary amino compound 8654
                                          N-alkylpiperazine 3089
                                            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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