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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
 xref_mesh: MESH:C000605269
 xref: 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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enasidenib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions ISO [enasidenib inhibits the reaction [ABCB1 protein results in increased export of Daunorubicin]] which results in increased susceptibility to Daunorubicin; enasidenib inhibits the reaction [ABCB1 protein results in decreased susceptibility to Daunorubicin]; enasidenib inhibits the reaction [ABCB1 protein results in increased export of Daunorubicin] CTD PMID:35972551 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Abcc1 ATP binding cassette subfamily C member 1 multiple interactions ISO [enasidenib inhibits the reaction [ABCC1 protein results in increased export of Daunorubicin]] which results in increased susceptibility to Daunorubicin; enasidenib inhibits the reaction [ABCC1 protein results in decreased susceptibility to Daunorubicin]; enasidenib inhibits the reaction [ABCC1 protein results in increased export of Daunorubicin] CTD PMID:35972551 NCBI chr10:528,961...655,179
Ensembl chr10:531,812...655,114 		JBrowse link
G Abcg2 ATP binding cassette subfamily G member 2 multiple interactions ISO [enasidenib inhibits the reaction [ABCG2 protein results in increased export of Daunorubicin]] which results in increased susceptibility to Daunorubicin; enasidenib inhibits the reaction [ABCG2 protein results in decreased susceptibility to Daunorubicin]; enasidenib inhibits the reaction [ABCG2 protein results in increased export of Daunorubicin] CTD PMID:35972551 NCBI chr 4:87,676,241...87,802,757
Ensembl chr 4:87,745,319...87,802,409 		JBrowse link
G Akr1c3 aldo-keto reductase family 1, member C3 multiple interactions
decreases activity		 ISO enasidenib inhibits the reaction [[AKR1C3 protein results in increased reduction of Daunorubicin] which results in increased abundance of daunorubicinol]; enasidenib inhibits the reaction [AKR1C3 protein results in decreased susceptibility to Daunorubicin]; enasidenib inhibits the reaction [AKR1C3 protein results in increased reduction of Daunorubicin]
enasidenib results in decreased activity of AKR1C3 protein		 CTD PMID:35972551 NCBI chr17:66,110,970...66,127,867
Ensembl chr17:66,110,963...66,127,873 		JBrowse link
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  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            antineoplastic agent 17823
              enasidenib 4
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
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        aromatic amine 15483
                                          aminopyridine 516
                                            enasidenib 4
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