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ONTOLOGY REPORT - ANNOTATIONS


Term:ivosidenib
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Accession:CHEBI:145430 term browser browse the term
Definition:A tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation.
Synonyms:exact_synonym: N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide
 related_synonym: (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide;   AG-120;   Formula=C28H22ClF3N6O3;   InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1;   InChIKey=WIJZXSAJMHAVGX-DHLKQENFSA-N;   SMILES=C=1(C=NC=C(C1)F)N([C@H](C(NC2CC(C2)(F)F)=O)C3=C(C=CC=C3)Cl)C([C@@]4(CCC(N4C5=NC=CC(=C5)C#N)=O)[H])=O;   Tibsovo;   ivosidenibum
 xref: CAS:1448347-49-6 "ChemIDplus";   DrugBank:DB14568;   KEGG:D11090;   PMCID:PMC6217633 "Europe PMC";   PMID:27245312 "Europe PMC";   PMID:29670690 "Europe PMC";   PMID:29860938 "Europe PMC";   PMID:29925981 "Europe PMC";   PMID:29934313 "Europe PMC";   PMID:30093505 "Europe PMC";   PMID:30209701 "Europe PMC";   PMID:30222290 "Europe PMC";   PMID:30231226 "Europe PMC";   PMID:30260154 "Europe PMC";   PMID:30260155 "Europe PMC";   PMID:30610623 "Europe PMC";   PMID:30692099 "Europe PMC";   PMID:30758648 "Europe PMC";   PMID:30822797 "Europe PMC";   PMID:31011758 "Europe PMC";   PMID:31028664 "Europe PMC";   PMID:31300360 "Europe PMC";   PMID:31382862 "Europe PMC";   Wikipedia:Ivosidenib


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Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      application 19350
        pharmaceutical 19224
          drug 19224
            antineoplastic agent 16892
              ivosidenib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        carboacyl group 17082
                                          univalent carboacyl group 17082
                                            carbamoyl group 16811
                                              carboxamide 16811
                                                lactam 7820
                                                  gamma-lactam 6059
                                                    pyrrolidin-2-ones 131
                                                      ivosidenib 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.