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ONTOLOGY REPORT - ANNOTATIONS


Term:ximelagatran
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Accession:CHEBI:65172 term browser browse the term
Definition:A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.
Synonyms:exact_synonym: ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate
 related_synonym: Exanta;   Exarta;   Formula=C24H35N5O5;   H 376-95;   H 37695;   InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1;   InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N;   SMILES=[H][C@]1(CCN1C(=O)[C@H](NCC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=NO;   ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate;   ximelagatran (oxime form);   ximelagatranum
 xref: CAS:192939-46-1 "ChemIDplus";   CAS:192939-46-1 "KEGG DRUG";   DrugBank:DB04898 "SUBMITTER";   Drug_Central:2852 "DrugCentral";   KEGG:D01981 "SUBMITTER"
 xref_mesh: MESH:C426686
 xref: PMID:12846595 "Europe PMC";   PMID:15487959 "Europe PMC";   PMID:16084146 "Europe PMC";   PMID:16106594 "Europe PMC";   PMID:16123912 "Europe PMC";   PMID:16511607 "Europe PMC";   PMID:16767816 "Europe PMC";   PMID:17319469 "Europe PMC";   PMID:17636192 "Europe PMC";   PMID:19028773 "Europe PMC";   PMID:20020269 "Europe PMC";   PMID:28338626 "Europe PMC";   Reaxys:14559655 "Reaxys";   Wikipedia:Ximelagatran
 cyclic_relationship: is_tautomer_of CHEBI:136702


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ximelagatran term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G F2 coagulation factor II JBrowse link 3 80,529,468 80,542,993 RGD:6480464

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      application 19235
        pro-agent 8765
          prodrug 8562
            ximelagatran 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                dicarboxylic acid amide 3083
                                                  dicarboxylic acid monoamide 669
                                                    melagatran 1
                                                      ximelagatran 1
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