CHEBI:145374 - enasidenib

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ChEBI Name enasidenib
ChEBI ID CHEBI:145374
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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H17F6N7O
Net Charge 0
Average Mass 473.383
Monoisotopic Mass 473.13988
InChI 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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
enasidenib WHO MedNet
énasidénib WHO MedNet
enasidenib WHO MedNet
enasidenibum WHO MedNet
Synonyms Sources
AG 221 DrugBank
AG-221 DrugBank
CC-90007 ChemIDplus
Brand Name Source
Idhifa ChEBI
Manual Xrefs Databases
69Q PDBeChem
D10901 KEGG DRUG
DB13874 DrugBank
Enasidenib Wikipedia
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Registry Number Type Source
1446502-11-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
18 November 2019