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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:posaconazole
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Accession:CHEBI:64355 term browser browse the term
Definition:An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug.
Synonyms:exact_synonym: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
 related_synonym: Formula=C37H42F2N8O4;   InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1;   InChIKey=RAGOYPUPXAKGKH-XAKZXMRKSA-N;   Noxafil;   SCH56592;   SMILES=CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O;   Sch 56592;   Schering 56592
 xref: CAS:171228-49-2;   DrugBank:DB01263;   Drug_Central:3483;   KEGG:D02555
 xref_mesh: MESH:C101425
 xref: PMID:21762211;   PMID:21967490;   PMID:22058198;   PMID:22176629;   PMID:22215361;   PMID:22215487;   PMID:22286158;   PMID:22290952;   PMID:22303909;   PMID:22324990;   PMID:22330929;   PMID:22380765;   PMID:22391464;   PMID:22391534;   PMID:22427614;   Patent:US5661151;   Patent:WO9517407;   Reaxys:8379448;   Wikipedia:Posaconazole


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posaconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO posaconazole results in decreased activity of ABCB11 protein CTD PMID:23956101 NCBI chr 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        antimicrobial agent 17312
          antimicrobial drug 6206
            antiprotozoal drug 3817
              trypanocidal drug 87
                posaconazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  heteroarene 16447
                                    monocyclic heteroarene 13303
                                      azole 12471
                                        triazoles 3636
                                          triazole antifungal agent 2354
                                            triazole antifungal drug 61
                                              posaconazole 1
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