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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...129,718,080
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 19853
    role 19825
      chemical role 19455
        ligand 6752
          chelator 6739
            iron chelator 1310
              deferasirox 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19797
                    p-block element atom 19797
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            organic molecule 19685
                              organic cyclic compound 19496
                                organic heterocyclic compound 18871
                                  heteroarene 17165
                                    monocyclic heteroarene 14990
                                      azole 14517
                                        triazoles 8442
                                          1-phenyl-1H-1,2,4-triazole 15
                                            2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol 8
                                              deferasirox 8
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