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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 methanesulfonate
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Accession:CHEBI:31690 term browser browse the term
Definition:A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.
Synonyms:exact_synonym: 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate
 related_synonym: Formula=C29H31N7O.CH4O3S;   Formula=C30H35N7O4S;   Gleevec;   Glivec;   InChI=1S/C29H31N7O.CH4O3S/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;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4);   InChIKey=YLMAHDNUQAMNNX-UHFFFAOYSA-N;   SMILES=CS(O)(=O)=O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1;   imatinib mesilate;   imatinib mesylate;   imatinib methansulfonate;   imatinib monomesylate
 xref: CAS:220127-57-1;   DrugBank:DB00619;   HMDB:HMDB0014757;   KEGG:D01441;   PMID:12047970;   PMID:12616857;   PMID:12669406;   PMID:12975485;   PMID:14760091;   PMID:15059881;   PMID:15161340;   PMID:15206509;   PMID:15250677;   PMID:15601563;   PMID:15727903;   PMID:16570351;   PMID:16805961;   PMID:16835496;   PMID:17212133;   PMID:18422477;   PMID:19073506;   PMID:19258052;   PMID:19508953;   PMID:19542718;   PMID:19568828;   PMID:21084823;   PMID:21333826;   PMID:23462796;   Patent:RU2365587;   Patent:WO2004106326;   Patent:WO2011161689;   Patent:WO9903854;   Reaxys:10229624


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imatinib methanesulfonate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Lrp1 LDL receptor related protein 1 decreases expression EXP imatinib mesylate decreases expression of Lrp1 protein in rat INS cells RGD PMID:24865476 RGD:13800516 NCBI chr 7:63,380,325...63,461,029
Ensembl chr 7:63,380,356...63,460,910 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        biochemical role 19556
          apoptosis inducer 13663
            imatinib methanesulfonate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              monocarboxylic acid amide 15732
                                                arenecarboxamide 8256
                                                  benzamides 8256
                                                    benzamide 64
                                                      imatinib 2
                                                        imatinib methanesulfonate 1
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