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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 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730 		JBrowse link
G Cyp11b2 cytochrome P450, family 11, subfamily b, polypeptide 2 multiple interactions ISO posaconazole binds to and results in decreased activity of CYP11B1 protein CTD PMID:31982514 NCBI chr 7:106,838,590...106,845,004
Ensembl chr 7:106,838,590...106,845,004 		JBrowse link
G Cyp11b3 cytochrome P450, family 11, subfamily b, polypeptide 3 multiple interactions ISO posaconazole binds to and results in decreased activity of CYP11B2 protein CTD PMID:31982514 NCBI chr 7:106,808,559...106,814,048
Ensembl chr 7:106,808,559...106,814,048 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 decreases activity ISO posaconazole results in decreased activity of CYP3A4 protein CTD PMID:19346885 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Hsd11b2 hydroxysteroid 11-beta dehydrogenase 2 decreases activity ISO posaconazole results in decreased activity of HSD11B2 protein CTD PMID:28131847 PMID:33387577 NCBI chr19:33,397,656...33,402,899
Ensembl chr19:33,397,656...33,402,899 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        antimicrobial agent 18240
          antimicrobial drug 11175
            antiprotozoal drug 7444
              trypanocidal drug 128
                posaconazole 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic heterocyclic compound 18868
                                  heteroarene 17151
                                    monocyclic heteroarene 14980
                                      azole 14503
                                        triazoles 8421
                                          triazole antifungal agent 5748
                                            triazole antifungal drug 113
                                              posaconazole 5
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