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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:enasidenib
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Accession:CHEBI:145374 term browser browse the term
Definition:A 1,3,5-triazine which is substituted by (2-hydroxy-2-methylpropyl)nitrilo, 6-(trifluoromethyl)pyridin-2-yl and [2-(trifluoromethyl)pyridin-4-yl]nitrilo groups at positions 2,4 and 6, respectively. It is an isocitrate dehydrogenase-2 (IDH2) inhibitor which has been approved for the treatment of adults with relapsed or refractory acute myeloid leukaemia (AML).
Synonyms:exact_synonym: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
 related_synonym: AG-221;   CC-90007;   Formula=C19H17F6N7O;   Idhifa;   InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);   InChIKey=DYLUUSLLRIQKOE-UHFFFAOYSA-N;   SMILES=C1(=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NCC(O)(C)C)NC=3C=CN=C(C3)C(F)(F)F;   enasidenibum
 xref: CAS:1446502-11-9;   DrugBank:DB13874;   KEGG:D10901;   PDBeChem:69Q;   PMID:28193778;   PMID:28280273;   PMID:28461409;   PMID:28659444;   PMID:28818952;   PMID:28879540;   PMID:29320949;   PMID:29742078;   PMID:29770715;   PMID:29803908;   PMID:30013764;   PMID:30069631;   PMID:30360730;   PMID:30386625;   PMID:30663096;   PMID:30719396;   PMID:30858735;   PMID:30967620;   PMID:31118877;   PMID:31454277;   PMID:31564968;   PMID:31652462;   Wikipedia:Enasidenib



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20072
    role 20026
      application 19773
        pharmaceutical 19647
          drug 19647
            antineoplastic agent 17672
              enasidenib 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 19974
                    main group molecular entity 19974
                      s-block molecular entity 19774
                        hydrogen molecular entity 19766
                          hydrides 19135
                            inorganic hydride 17930
                              pnictogen hydride 17913
                                nitrogen hydride 17801
                                  azane 17556
                                    ammonia 17555
                                      organic amino compound 17555
                                        aromatic amine 14940
                                          aminopyridine 491
                                            enasidenib 0
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