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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:imatinib
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Accession:CHEBI:45783 term browser browse the term
Definition:A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.
Synonyms:related_synonym: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE;   4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide;   Formula=C29H31N7O;   InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);   InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N;   SMILES=CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1;   STI 571;   alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
 alt_id: CHEBI:305376;   CHEBI:38918;   CHEBI:45781
 xref: Beilstein:7671333;   CAS:152459-95-5;   DrugBank:DB00619;   Drug_Central:1423;   HMDB:HMDB0014757;   KEGG:D08066;   LINCS:LSM-1023
 xref_mesh: MESH:C097613
 xref: PDBeChem:STI;   PMID:14660054;   PMID:14715630;   PMID:15073101;   PMID:15170967;   PMID:15722647;   PMID:15794712;   PMID:15966213;   PMID:16122278;   PMID:16826359;   PMID:16983347;   PMID:17190842;   PMID:17410337;   PMID:17457302;   PMID:17717205;   PMID:18193246;   PMID:18216472;   PMID:18337118;   PMID:18344535;   PMID:18376233;   PMID:18407734;   PMID:18420270;   PMID:18423008;   PMID:18548219;   PMID:18623899;   PMID:18780518;   PMID:18809244;   PMID:19020005;   PMID:19052981;   PMID:19077095;   PMID:19097599;   PMID:19182535;   PMID:19242505;   PMID:19415889;   PMID:19527930;   PMID:19591692;   PMID:19693287;   PMID:19749465;   PMID:19810774;   PMID:19853594;   PMID:19920908;   PMID:22891806;   PMID:23075630;   PMID:23183914;   PMID:23313020;   PMID:23394269;   PMID:23480638;   PMID:23503753;   PMID:23536338;   PMID:23574742;   PMID:23580311;   PMID:23587588;   Patent:EP564409;   Patent:US5521184;   Reaxys:7671333;   Wikipedia:Imatinib

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          apoptosis inducer 0
            imatinib 0
              imatinib methanesulfonate 0
              linkable imatinib analogue 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                arenecarboxamide 0
                                                  benzamides 0
                                                    benzamide 0
                                                      imatinib 0
                                                        imatinib methanesulfonate 0
                                                        linkable imatinib analogue 0
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