Molecules/5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
Molecular Identity
5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID: 15983966
GSK461364 is 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). It has a role as an EC 2.7.11.21 (polo kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a primary carboxamide, a member of benzimidazoles, an ether, a member of thiophenes, a N-methylpiperazine and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C27H28F3N5O2S
Molecular Formula
543.60
Molecular Weight
g/mol
543.1916
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
814
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)NIsomeric SMILES
SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)NSynonyms(20)
929095-18-1GSK-4613648QO27TK6Q45-[6-[(4-Methyl-1-piperazinyl)methyl]-1h-benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide2-Thiophenecarboxamide, 5-(6-((4-methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-5-(6-((4-Methylpiperazin-1-yl)methyl)-1H-benzimidazol-1-yl)-3-(((1R)-1-(2-(trifluoromethyl)phenyl)ethyl)oxy)thiophene-2-carboxamideDTXSID602391972-THIOPHENECARBOXAMIDE, 5-[6-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-BENZIMIDAZOL-1-YL]-3-[(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY]-5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamideRefChem:1072482DTXCID80161688GSK461364GSK 461364(R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamideGSK-461364A
Data from PubChem (NCBI)
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Molecular Structure
5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
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Drug Network
Trials and conditions connected to 5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
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