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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 chr12:9,207,986...9,230,038
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 19747
    role 19720
      biological role 19718
        antimicrobial agent 17883
          antimicrobial drug 9420
            antiprotozoal drug 7050
              trypanocidal drug 105
                posaconazole 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19747
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19638
                        carbon atom 19634
                          organic molecular entity 19634
                            organic molecule 19594
                              organic cyclic compound 19400
                                organic heterocyclic compound 18772
                                  heteroarene 16885
                                    monocyclic heteroarene 14242
                                      azole 13602
                                        triazoles 6113
                                          triazole antifungal agent 5129
                                            triazole antifungal drug 69
                                              posaconazole 5
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