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CHEBI:145374 - enasidenib

ChEBI IDCHEBI:145374
ChEBI Nameenasidenib
Stars
DefinitionA 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).
Last Modified18 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC19H17F6N7O
Net Charge0
Average Mass473.381
Monoisotopic Mass473.13988
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=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)
InChIKeyDYLUUSLLRIQKOE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of any isocitrate dehydrogenase (EC 1.1.1.42).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
enasidenib (CHEBI:145374) has role antineoplastic agent (CHEBI:35610)
enasidenib (CHEBI:145374) has role EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor (CHEBI:145410)
enasidenib (CHEBI:145374) is a 1,3,5-triazines (CHEBI:26588)
enasidenib (CHEBI:145374) is a aminopyridine (CHEBI:38207)
enasidenib (CHEBI:145374) is a aromatic amine (CHEBI:33860)
enasidenib (CHEBI:145374) is a organofluorine compound (CHEBI:37143)
enasidenib (CHEBI:145374) is a secondary amino compound (CHEBI:50995)
enasidenib (CHEBI:145374) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
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
INNs  Source
enasidenibWHO MedNet
enasidenibumWHO MedNet
énasidénibWHO MedNet
enasidenibWHO MedNet
Synonyms  Source
AG 221DrugBank
AG-221DrugBank
CC-90007ChemIDplus
Brand Name  Source
IdhifaChEBI
Manual XrefsDatabases
DB13874DrugBank
D10901KEGG DRUG
EnasidenibWikipedia
69QPDBeChem
Registry NumbersSources
CAS:1446502-11-9ChemIDplus
Citations