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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:TH-302
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Accession:CHEBI:231678 term browser browse the term
Definition:TH-302 is a novel cancer therapeutic specifically activated under the low oxygen or 'hypoxic' conditions typical of solid tumor cancer cells. TH-302 is a nitroimidazole-linked prodrug of a brominated derivative of an isophosphoramide mustard previously used in cancer drugs such as ifosfamide, cyclophosphamide, and glufosfamide. TH-302 has been shown, in preclinical studies, to be both efficacious and well tolerated (DrugBank).
Synonyms:related_synonym: Evofosfamide;   Formula=C9H16Br2N5O4P;   InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19);   InChIKey=UGJWRPJDTDGERK-UHFFFAOYSA-N;   SMILES=CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr;   TH302
 xref: CAS:918633-87-1
 xref_mesh: MESH:C552526


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TH-302 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gsr glutathione-disulfide reductase decreases activity ISO TH 302 results in decreased activity of GSR protein CTD PMID:19838642 NCBI chr16:58,482,209...58,525,256
Ensembl chr16:58,482,505...58,525,661 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    chemical entity 19909
      atom 19909
        nonmetal atom 19832
          carbon atom 19785
            organic molecular entity 19785
              TH-302 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            TH-302 1
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