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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:deferasirox
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Accession:CHEBI:49005 term browser browse the term
Definition:A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.
Synonyms:exact_synonym: 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
 related_synonym: Exjade;   Formula=C21H15N3O4;   ICL 670;   ICL 670A;   InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28);   InChIKey=BOFQWVMAQOTZIW-UHFFFAOYSA-N;   SMILES=OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O;   deferasiroxum
 xref: Beilstein:8442898;   CAS:201530-41-8;   DrugBank:DB01609;   Drug_Central:3128;   KEGG:D03669
 xref_mesh: MESH:C415250
 xref: Reaxys:8442898


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deferasirox term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 increases expression
increases activity
ISO deferasirox results in increased expression of CASP3 protein
deferasirox results in increased activity of CASP3 protein
CTD PMID:21439361 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Ccnt1 cyclin T1 multiple interactions ISO deferasirox inhibits the reaction [CDK9 protein binds to CCNT1 protein] CTD PMID:17631934 NCBI chr 7:140,215,052...140,245,958
Ensembl chr 7:140,219,551...140,245,723
JBrowse link
G Cdk2 cyclin dependent kinase 2 decreases activity ISO deferasirox results in decreased activity of CDK2 protein CTD PMID:17631934 NCBI chr 7:3,124,953...3,132,533
Ensembl chr 7:3,124,954...3,132,457
JBrowse link
G Cdk9 cyclin-dependent kinase 9 multiple interactions ISO deferasirox inhibits the reaction [CDK9 protein binds to CCNT1 protein] CTD PMID:17631934 NCBI chr 3:11,742,269...11,747,117
Ensembl chr 3:11,742,266...11,747,113
JBrowse link
G Clu clusterin increases expression EXP deferasirox results in increased expression of CLU protein CTD PMID:21439361 NCBI chr15:42,626,612...42,665,858
Ensembl chr15:42,640,146...42,665,857
JBrowse link
G Havcr1 hepatitis A virus cellular receptor 1 increases expression ISO
EXP
deferasirox results in increased expression of HAVCR1 protein CTD PMID:21439361 NCBI chr10:31,813,819...31,860,934
Ensembl chr10:31,813,814...31,848,379
JBrowse link
G Lcn2 lipocalin 2 increases expression ISO
EXP
deferasirox results in increased expression of LCN2 protein CTD PMID:21439361 NCBI chr 3:11,414,189...11,417,534
Ensembl chr 3:11,414,186...11,417,546
JBrowse link
G Polr2a RNA polymerase II subunit A decreases phosphorylation ISO deferasirox results in decreased phosphorylation of POLR2A protein CTD PMID:17631934 NCBI chr10:56,339,277...56,364,888
Ensembl chr10:56,339,284...56,365,084
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      chemical role 19289
        ligand 5802
          chelator 5779
            iron chelator 1200
              deferasirox 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic molecule 19532
                              organic cyclic compound 19348
                                organic heterocyclic compound 18475
                                  heteroarene 16525
                                    monocyclic heteroarene 13357
                                      azole 12531
                                        triazoles 3645
                                          1-phenyl-1H-1,2,4-triazole 9
                                            2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol 8
                                              deferasirox 8
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