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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 19821
    role 19769
      chemical role 19345
        ligand 5819
          chelator 5805
            iron chelator 1207
              deferasirox 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  heteroarene 16530
                                    monocyclic heteroarene 13437
                                      azole 12628
                                        triazoles 3664
                                          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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