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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:itraconazole
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Accession:CHEBI:6076 term browser browse the term
Definition:An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.
Synonyms:exact_synonym: 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
 related_synonym: Formula=C35H38Cl2N8O4;   InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1;   InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N;   Itrizole (TN);   Oriconazole;   SMILES=CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O;   Sporanox (TN)
 xref: CAS:84625-61-6;   DrugBank:DB01167;   KEGG:D00350
 xref_mesh: MESH:D017964
 xref: PMID:11219548;   PMID:11403818;   PMID:11422002;   PMID:15521894;   PMID:19025521;   PMID:20400651;   PMID:25326091;   Patent:EP6711;   Patent:US4267179;   VSDB:1853;   Wikipedia:Itraconazole


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          enzyme inhibitor 0
            pathway inhibitor 0
              Hedgehog signaling pathway inhibitor 0
                itraconazole 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
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        hadron 0
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            nucleon 0
              atomic nucleus 0
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                      carbon group element atom 0
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                          organic molecular entity 0
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                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        triazoles 0
                                          triazole antifungal agent 0
                                            triazole antifungal drug 0
                                              itraconazole 0
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