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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 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 19812
    role 19763
      biological role 19763
        antimicrobial agent 17482
          antimicrobial drug 8730
            antiprotozoal drug 7021
              trypanocidal drug 100
                posaconazole 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic molecule 19562
                              organic cyclic compound 19356
                                organic heterocyclic compound 18596
                                  heteroarene 16543
                                    monocyclic heteroarene 13446
                                      azole 12638
                                        triazoles 3698
                                          triazole antifungal agent 2385
                                            triazole antifungal drug 67
                                              posaconazole 4
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