Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      application 19677
        pharmaceutical 19519
          drug 19519
            antineoplastic agent 17814
              enasidenib 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    main group molecular entity 19807
                      s-block molecular entity 19639
                        hydrogen molecular entity 19620
                          hydrides 19126
                            inorganic hydride 18134
                              pnictogen hydride 18123
                                nitrogen hydride 18032
                                  azane 17837
                                    ammonia 17836
                                      organic amino compound 17836
                                        aromatic amine 15492
                                          aminopyridine 516
                                            enasidenib 4
paths to the root