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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 19831
    role 19807
      application 19650
        pharmaceutical 19491
          drug 19491
            antineoplastic agent 17757
              enasidenib 4
Path 2
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        aromatic amine 15425
                                          aminopyridine 508
                                            enasidenib 4
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