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temozolomide - Ontology Report - Rat Genome Database

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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 26559
        role 26385
          application 25610
            pro-agent 12077
              prodrug 11740
                temozolomide 3369
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      CHEBI ontology 26559
        subatomic particle 26535
          composite particle 26535
            hadron 26535
              baryon 26535
                nucleon 26535
                  atomic nucleus 26535
                    atom 26535
                      main group element atom 26283
                        p-block element atom 26283
                          carbon group element atom 25735
                            carbon atom 25698
                              organic molecular entity 25698
                                heteroorganic entity 25036
                                  organochalcogen compound 24633
                                    organooxygen compound 24231
                                      carbon oxoacid 22875
                                        carboxylic acid 22857
                                          carboacyl group 20078
                                            univalent carboacyl group 20078
                                              carbamoyl group 19592
                                                carboxamide 19592
                                                  monocarboxylic acid amide 17039
                                                    temozolomide 3369
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