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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 19811
    role 19818
      biological role 19785
        antimicrobial agent 18104
          antimicrobial drug 9668
            antiprotozoal drug 7398
              trypanocidal drug 111
                posaconazole 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  heteroarene 17114
                                    monocyclic heteroarene 14850
                                      azole 14355
                                        triazoles 8120
                                          triazole antifungal agent 5743
                                            triazole antifungal drug 113
                                              posaconazole 5
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