selinexor (CHEBI:229764)

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ChEBI Name	selinexor

ChEBI ID	CHEBI:229764

Definition	A member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1Z)-3-oxo-3-[2-(pyrazin-2-yl)hydrazinyl]prop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is a prescription medicine approved for the treatment of adult patients with relapsed or refractory diffuse large B-cell lymphoma.

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

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Formula

C17H11F6N7O

Net Charge

Average Mass

443.313

Monoisotopic Mass

443.09293

InChI

InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-

InChIKey

DEVSOMFAQLZNKR-RJRFIUFISA-N

SMILES

FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F

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. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	selinexor (CHEBI:229764) has role anti-inflammatory agent (CHEBI:67079) selinexor (CHEBI:229764) has role antineoplastic agent (CHEBI:35610) selinexor (CHEBI:229764) has role apoptosis inducer (CHEBI:68495) selinexor (CHEBI:229764) has role exportin 1 inhibitor (CHEBI:229763) selinexor (CHEBI:229764) is a (trifluoromethyl)benzenes (CHEBI:83565) selinexor (CHEBI:229764) is a enamide (CHEBI:51751) selinexor (CHEBI:229764) is a hydrazide (CHEBI:35362) selinexor (CHEBI:229764) is a pyrazines (CHEBI:38314) selinexor (CHEBI:229764) is a triazoles (CHEBI:35727)

IUPAC Name

(2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)prop-2-enehydrazide

Synonyms	Sources
(2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1- yl}-N'-(pyrazin-2-yl)prop-2-enehydrazide	ChEBI
KPT 330	DrugBank
KPT-330	DrugBank

Brand Name	Source
Xpovio	KEGG DRUG

Last Modified

13 March 2024