CHEBI:229765 - XPO1-IN-1

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ChEBI Name XPO1-IN-1
ChEBI ID CHEBI:229765
Definition A member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1E)-3-amino-2-{4-[(methylsulfonyl)amino]phenyl}-3-oxoprop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is an exportin 1 inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H15F6N5O3S
Net Charge 0
Average Mass 519.420
Monoisotopic Mass 519.07998
InChI InChI=1S/C20H15F6N5O3S/c1-35(33,34)30-15-4-2-11(3-5-15)16(17(27)32)9-31-10-28-18(29-31)12-6-13(19(21,22)23)8-14(7-12)20(24,25)26/h2-10,30H,1H3,(H2,27,32)/b16-9+
InChIKey WULLCOQWAPGBSM-CXUHLZMHSA-N
SMILES CS(=O)(=O)NC1=CC=C(C=C1)C(=C/N1C=NC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)\C(N)=O
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
exportin 1 inhibitor
Any inhibitor of exportin 1.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing XPO1-IN-1 (CHEBI:229765) has role antineoplastic agent (CHEBI:35610)
XPO1-IN-1 (CHEBI:229765) has role apoptosis inducer (CHEBI:68495)
XPO1-IN-1 (CHEBI:229765) has role exportin 1 inhibitor (CHEBI:229763)
XPO1-IN-1 (CHEBI:229765) is a (trifluoromethyl)benzenes (CHEBI:83565)
XPO1-IN-1 (CHEBI:229765) is a enamide (CHEBI:51751)
XPO1-IN-1 (CHEBI:229765) is a sulfonamide (CHEBI:35358)
XPO1-IN-1 (CHEBI:229765) is a triazoles (CHEBI:35727)
IUPAC Name
(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-{4-[(methylsulfonyl)amino]phenyl}prop-2-enamide
Citation Waiting for Citations Type Source
35367710 PubMed citation Europe PMC
Last Modified
13 March 2024