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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 20862
        role 20820
          application 20621
            pro-agent 12349
              prodrug 12109
                temozolomide 3064
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      CHEBI ontology 20862
        subatomic particle 20860
          composite particle 20860
            hadron 20860
              baryon 20860
                nucleon 20860
                  atomic nucleus 20860
                    atom 20860
                      main group element atom 20781
                        p-block element atom 20781
                          carbon group element atom 20715
                            carbon atom 20710
                              organic molecular entity 20710
                                heteroorganic entity 20219
                                  organochalcogen compound 19904
                                    organooxygen compound 19806
                                      carbon oxoacid 19155
                                        carboxylic acid 19152
                                          carboacyl group 18085
                                            univalent carboacyl group 18085
                                              carbamoyl group 17921
                                                carboxamide 17921
                                                  monocarboxylic acid amide 15953
                                                    temozolomide 3064
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