eltanexor (CHEBI:229762)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	eltanexor

ChEBI ID	CHEBI:229762

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	sramacha

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C17H10F6N6O

Net Charge

Average Mass

428.298

Monoisotopic Mass

428.08203

InChI

InChI=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+

InChIKey

JFBAVWVBLRIWHM-AWNIVKPZSA-N

SMILES

NC(=O)C(=C\N1C=NC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)\C1=CN=CN=C1

Roles Classification
Biological Role(s):	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(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
(E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-triazol-1-yl)-2-pyrimidin-5-ylprop-2-enamide	SUBMITTER
ATG-016	ChEBI
KPT 8602	ChEBI
KPT-8602	SUBMITTER
KPT8602	ChEBI
ONO-7706	ChEBI

Registry Number	Type	Source
1642300-52-4	CAS Registry Number	KEGG DRUG

Last Modified

13 March 2024