selinexor (CHEBI:229764)

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CHEBI:229764 - selinexor

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ChEBI ID	CHEBI:229764
ChEBI Name	selinexor
Stars
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.
Last Modified	13 March 2024
Submitter	Adnan
Downloads	Molfile

Formula	C17H11F6N7O
Net Charge	0
Average Mass	443.311
Monoisotopic Mass	443.09293
SMILES	O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1
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

Wikipedia

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.
Applications:	anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	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

INNs	Source
selinexor	WHO MedNet
sélinexor	WHO MedNet
selinexorum	WHO MedNet
selinexor	WHO MedNet

Synonyms	Source
(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

Manual Xrefs	Databases
DB11942	DrugBank
HMDB0258217	HMDB
D11222	KEGG DRUG
Selinexor	Wikipedia

Citations