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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 19860
        role 19832
          application 19675
            pro-agent 11550
              prodrug 11310
                temozolomide 3063
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      CHEBI ontology 19860
        subatomic particle 19858
          composite particle 19858
            hadron 19858
              baryon 19858
                nucleon 19858
                  atomic nucleus 19858
                    atom 19858
                      main group element atom 19804
                        p-block element atom 19804
                          carbon group element atom 19745
                            carbon atom 19741
                              organic molecular entity 19741
                                heteroorganic entity 19494
                                  organochalcogen compound 19257
                                    organooxygen compound 19173
                                      carbon oxoacid 18641
                                        carboxylic acid 18638
                                          carboacyl group 17705
                                            univalent carboacyl group 17705
                                              carbamoyl group 17556
                                                carboxamide 17556
                                                  monocarboxylic acid amide 15688
                                                    temozolomide 3063
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