CHEBI:91333 - GSK461364

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ChEBI Name GSK461364
ChEBI ID CHEBI:91333
Definition A member of the class of benzimidazoles that is 1H-benzimidazole substituted by 5-carbamoyl-4-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophen-2-yl and (4-methylpiperazin-1-yl)methyl groups at positions 1 and 6, respectively. It is an ATP-competitive polo-like kinase 1 (PLK1) inhibitor (Ki = 2.2 nM).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H28F3N5O2S
Net Charge 0
Average Mass 543.610
Monoisotopic Mass 543.19158
InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
InChIKey ZHJGWYRLJUCMRT-QGZVFWFLSA-N
SMILES C[C@@H](OC1=C(SC(=C1)N1C=NC2=C1C=C(CN1CCN(C)CC1)C=C2)C(N)=O)C1=CC=CC=C1C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GSK461364 (CHEBI:91333) has role antineoplastic agent (CHEBI:35610)
GSK461364 (CHEBI:91333) has role apoptosis inducer (CHEBI:68495)
GSK461364 (CHEBI:91333) has role EC 2.7.11.21 (polo kinase) inhibitor (CHEBI:145425)
GSK461364 (CHEBI:91333) is a (trifluoromethyl)benzenes (CHEBI:83565)
GSK461364 (CHEBI:91333) is a N-methylpiperazine (CHEBI:46920)
GSK461364 (CHEBI:91333) is a benzimidazoles (CHEBI:22715)
GSK461364 (CHEBI:91333) is a ether (CHEBI:25698)
GSK461364 (CHEBI:91333) is a primary carboxamide (CHEBI:140324)
GSK461364 (CHEBI:91333) is a thiophenes (CHEBI:26961)
IUPAC Name
5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
Synonyms Sources
5-[6-[(4-methyl-1-piperazinyl)methyl]-1-benzimidazolyl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide ChEBI
GSK 461364 ChEBI
GSK 461364A ChEBI
GSK-461364 ChEBI
GSK-461364A ChEBI
GSK461364A ChEBI
Manual Xrefs Databases
LSM-1013 LINCS
US2010256376 Patent
View more database links
Registry Number Type Source
929095-18-1 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
17 July 2024