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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:temozolomide
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Accession:CHEBI:72564 term browser browse the term
Definition:An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma.
Synonyms:related_synonym: 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide;   3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide;   3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide;   8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one;   BRN 5547136;   CCRG-81045;   CCRIS 8996;   Formula=C6H6N6O2;   InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13);   InChIKey=BPEGJWRSRHCHSN-UHFFFAOYSA-N;   M&B 39831;   MB 39831;   NSC 362856;   SMILES=Cn1nnc2c(ncn2c1=O)C(N)=O;   Sch 52365;   TMZ;   Temodal;   Temodar;   methazolastone;   temozolomida;   temozolomidum
 xref: CAS:85622-93-1;   DrugBank:DB00853;   Drug_Central:2589;   HMDB:HMDB0014991;   KEGG:D06067;   LINCS:LSM-4590
 xref_mesh: MESH:C047246
 xref: PMID:22680781;   PMID:22818211;   PMID:23246370;   PMID:23254891;   PMID:23293540;   PMID:23335050;   PMID:23362460;   PMID:23377829;   PMID:23385995;   PMID:23389760;   Patent:DE3231255;   Reaxys:5547136;   Wikipedia:Temozolomide



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      CHEBI ontology 20056
        role 20008
          application 19745
            pro-agent 10144
              prodrug 9948
                temozolomide 3053
    Path 2
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      CHEBI ontology 20056
        subatomic particle 20054
          composite particle 20054
            hadron 20054
              baryon 20054
                nucleon 20054
                  atomic nucleus 20054
                    atom 20054
                      main group element atom 19956
                        p-block element atom 19956
                          carbon group element atom 19882
                            carbon atom 19875
                              organic molecular entity 19875
                                organic group 18961
                                  organic divalent group 18947
                                    organodiyl group 18947
                                      carbonyl group 18900
                                        carbonyl compound 18900
                                          carboxylic acid 18594
                                            carboacyl group 17706
                                              univalent carboacyl group 17706
                                                carbamoyl group 17546
                                                  carboxamide 17546
                                                    monocarboxylic acid amide 15515
                                                      temozolomide 3053
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