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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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imatinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ddr1 discoidin domain receptor tyrosine kinase 1 decreases phosphorylation ISO imatinib inhibits the reaction [collagen increases autophosphorylation of DDR1 in U2OS cells] RGD PMID:24768818 RGD:151347549 NCBI chr20:3,042,494...3,064,442
Ensembl chr20:3,044,320...3,064,468
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20072
    role 20024
      biological role 20023
        biochemical role 19658
          apoptosis inducer 13448
            imatinib 1
              imatinib methanesulfonate 0
              linkable imatinib analogue 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19894
                        carbon atom 19887
                          organic molecular entity 19887
                            organic group 18965
                              organic divalent group 18951
                                organodiyl group 18951
                                  carbonyl group 18903
                                    carbonyl compound 18903
                                      carboxylic acid 18601
                                        carboacyl group 17713
                                          univalent carboacyl group 17713
                                            carbamoyl group 17552
                                              carboxamide 17552
                                                monocarboxylic acid amide 15537
                                                  arenecarboxamide 7317
                                                    benzamides 7317
                                                      benzamide 62
                                                        imatinib 1
                                                          imatinib methanesulfonate 0
                                                          linkable imatinib analogue 0
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