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CHEBI:91334 - GW843682X

ChEBI IDCHEBI:91334
ChEBI NameGW843682X
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole substituted by 5-carbamoyl-4-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl, methoxy, and methoxy groups at positions 1, 5, and 6, respectively. It is a potent inhibitor of PLK1 and PLK3 (IC50 = 2.2 and 9.1 nM respectively).
Last Modified21 June 2024
DownloadsMolfile
FormulaC22H18F3N3O4S
Net Charge0
Average Mass477.464
Monoisotopic Mass477.09701
SMILESCOc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
InChIKeyJSKUWFIZUALZLX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.11.21 (polo kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of any polo kinase (EC 2.7.11.21).
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)
GW843682X (CHEBI:91334) has role antineoplastic agent (CHEBI:35610)
GW843682X (CHEBI:91334) has role apoptosis inducer (CHEBI:68495)
GW843682X (CHEBI:91334) has role EC 2.7.11.21 (polo kinase) inhibitor (CHEBI:145425)
GW843682X (CHEBI:91334) is a (trifluoromethyl)benzenes (CHEBI:83565)
GW843682X (CHEBI:91334) is a aromatic ether (CHEBI:35618)
GW843682X (CHEBI:91334) is a benzimidazoles (CHEBI:22715)
GW843682X (CHEBI:91334) is a primary carboxamide (CHEBI:140324)
GW843682X (CHEBI:91334) is a thiophenes (CHEBI:26961)
IUPAC Name 
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
Synonyms  Source
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamideIUPAC
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamideChEBI
GW-843682XChEBI
GW 843682XChEBI
GW843682ChEBI
Manual XrefsDatabases
LSM-1014LINCS
Registry NumbersSources
CAS:660868-91-7ChEBI
Citations