CHEBI:229762 - eltanexor

ChEBI IDCHEBI:229762
ChEBI Nameeltanexor
Stars
DefinitionA member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1E)-3-amino-3-oxo-2-(pyrimidin-5-yl)prop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is a second-generation exportin 1 inhibitor that is currently in phase II clinical trial for the treatment of patients with higher relapsed/refractory myelodysplastic neoplasms.
Last Modified13 March 2024
Submittersramacha
DownloadsMolfile
FormulaC17H10F6N6O
Net Charge0
Average Mass428.296
Monoisotopic Mass428.08203
SMILESNC(=O)/C(=C/n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1
InChIInChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+
InChIKeyJFBAVWVBLRIWHM-AWNIVKPZSA-N
Roles Classification
Biological Roles:
exportin 1 inhibitor  Any inhibitor of exportin 1.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
eltanexor (CHEBI:229762) has role antineoplastic agent (CHEBI:35610)
eltanexor (CHEBI:229762) has role apoptosis inducer (CHEBI:68495)
eltanexor (CHEBI:229762) has role exportin 1 inhibitor (CHEBI:229763)
eltanexor (CHEBI:229762) is a (trifluoromethyl)benzenes (CHEBI:83565)
eltanexor (CHEBI:229762) is a enamide (CHEBI:51751)
eltanexor (CHEBI:229762) is a primary carboxamide (CHEBI:140324)
eltanexor (CHEBI:229762) is a pyrimidines (CHEBI:39447)
eltanexor (CHEBI:229762) is a triazoles (CHEBI:35727)
IUPAC Name 
(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)prop-2-enamide
INNs  Source
eltanexorWHO MedNet
eltanexorWHO MedNet
eltanexorWHO MedNet
eltanexorumWHO MedNet
Synonyms  Source
(E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-triazol-1-yl)-2-pyrimidin-5-ylprop-2-enamideSUBMITTER
KPT-8602SUBMITTER
ATG-016ChEBI
ONO-7706ChEBI
KPT 8602ChEBI
KPT8602ChEBI
Manual XrefsDatabases
DB16153DrugBank
D11499KEGG DRUG
Registry NumbersSources
CAS:1642300-52-4KEGG DRUG
Citations