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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 chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Ccnt1 cyclin T1 multiple interactions ISO deferasirox inhibits the reaction [CDK9 protein binds to CCNT1 protein] CTD PMID:17631934 NCBI chr 7:129,687,146...129,718,082
Ensembl chr 7:129,691,209...129,717,871
JBrowse link
G Cdk2 cyclin dependent kinase 2 decreases activity ISO deferasirox results in decreased activity of CDK2 protein CTD PMID:17631934 NCBI chr 7:1,129,878...1,137,431
Ensembl chr 7:1,129,811...1,137,403
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 3:15,996,467...16,001,315
Ensembl chr 3:15,996,468...16,002,410
JBrowse link
G Clu clusterin increases expression EXP deferasirox results in increased expression of CLU protein CTD PMID:21439361 NCBI chr15:40,161,068...40,200,315
Ensembl chr15:40,174,617...40,200,315
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 chr10:31,118,667...31,151,730
Ensembl chr10:31,119,088...31,151,698
JBrowse link
G Lcn2 lipocalin 2 increases expression ISO
EXP
deferasirox results in increased expression of LCN2 protein CTD PMID:21439361 NCBI chr 3:15,680,688...15,684,033
Ensembl chr 3:15,680,687...15,684,095
JBrowse link
G Polr2a RNA polymerase II subunit A decreases phosphorylation ISO deferasirox results in decreased phosphorylation of POLR2A protein CTD PMID:17631934 NCBI chr10:54,452,438...54,478,486
Ensembl chr10:54,452,441...54,478,455
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19765
    role 19738
      chemical role 19377
        ligand 6109
          chelator 6096
            iron chelator 1254
              deferasirox 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    p-block element atom 19712
                      carbon group element atom 19658
                        carbon atom 19654
                          organic molecular entity 19654
                            organic molecule 19616
                              organic cyclic compound 19425
                                organic heterocyclic compound 18777
                                  heteroarene 16881
                                    monocyclic heteroarene 14240
                                      azole 13602
                                        triazoles 6107
                                          1-phenyl-1H-1,2,4-triazole 11
                                            2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol 8
                                              deferasirox 8
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