660817-08-3
Chemical Structure
CAP-53194
- CAS No.: 660817-08-3
- Formula:C21H14N6O5
- Molecular Weight:430.37
IUPAC Name: N,1-bis(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxamide
InChIKey: ORYIDPDQYDBZQA-UHFFFAOYSA-N
SMILES: O=C(NC1=CC=C(C=C1)[N+]([O-])=O)C2=C(N(N=N2)C3=CC=C(C=C3)[N+]([O-])=O)C4=CC=CC=C4
Biological Activity: CAP-53194 is a selective Plk1 inhibitor with potential anticancer activity. CAP-53194 was identified by a high-throughput virtual screening approach using molecular docking, showing 100-fold selectivity for Plk1 over Plk2-4 and other cell cycle kinases. CAP-53194 is able to effectively exploit subtle differences between the binding sites of Plk1 and other Ser/Thr kinases, thereby enhancing their inhibitory effects. CAP-53194 meets the Lipinski compound analog criteria and passes other ADMET filters, indicating good compound compatibility. CAP-53194 belongs to a new class of potential Plk1 inhibitors suitable for subsequent compound development and testing[1].
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CAP-53194 | CAP-53194 is a selective Plk1 inhibitor with potential anticancer activity. CAP-53194 was identified by a high-throughput virtual screening approach using molecular docking, showing 100-fold selectivity for Plk1 over Plk2-4 and other cell cycle kinases. CAP-53194 is able to effectively exploit subtle differences between the binding sites of Plk1 and other Ser/Thr kinases, thereby enhancing their inhibitory effects. CAP-53194 meets the Lipinski compound analog criteria and passes other ADMET filters, indicating good compound compatibility. CAP-53194 belongs to a new class of potential Plk1 inhibitors suitable for subsequent compound development and testing. | |||||||||||||||||||||
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