| Chemical Information | |
| Antiviral agent ID | DrugRepV_6254 | |
| Antiviral agent name | 1-(2-chlorophenyl)-3-{2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazol-4-yl}urea | |
| IUPAC Name | 1-(2-chlorophenyl)-3-{2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1,3-thiazol-4-yl}urea |  |
| SMILES (canonical) | ClC1=C(Cl)N(CC2=NC(NC(=O)NC3=C(Cl)C=CC=C3)=CS2)C=N1 | |
| Molecular Formula | C14H10Cl3N5OS | |
| Molecular Weight (g/mol) | 402.68 | |
| InChl | InChI=1S/C14H10Cl3N5OS/c15-8-3-1-2-4-9(8)19-14(23)21-10-6-24-11(20-10)5-22-7-18-12(16)13(22)17/h1-4,6-7H,5H2,(H2,19,21,23) | |
| Structural Information | |
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| Clinical Information | |
| Biological Information | |
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Secondary Indication | Dengue virus (DENV) 2 NGC |   |
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Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
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Secondary Indication (Model system) [cell lines/ animal models] | Vero
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Duration of drug delivery) | 5 days
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Secondary Indication (Drug concentration) | 32 ± 17 μM
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Secondary Indication (Cell based assay) | Plaque assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | IC50 [ 50 % ] | |
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Secondary Indication (Cytotoxicity) | >100 μM | |
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Reference | Kampmann T, Yennamalli R, Campbell P, Stoermer MJ, Fairlie DP, Kobe B, Young PR..In silico screening of small molecule libraries using the dengue virus envelope E protein has identified compounds with antiviral activity against multiple flaviviruses..Antiviral Res. 2009 Dec;84(3):234-41. doi: 10.1016/j.antiviral.2009.09.007. Epub 2009 Sep 23. PMID:19781577
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Comment | The biological activity of selected compounds identified from this screen revealed low micromolar antiviral potency against dengue virus for two of the compounds. These results also provide the first evidence that compounds selected to bind to this ligand binding site on the flavivirus E protein abrogate fusion activity.
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