| Chemical Information | |
| Antiviral agent ID | DrugRepV_7326 | |
| Antiviral agent name | N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide | |
| IUPAC Name | N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |  |
| SMILES (canonical) | CS(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)C1=CC=C(CN3C=C(C=N3)[N+]([O-])=O)C=C1)S2 | |
| Molecular Formula | C19H15N5O5S2 | |
| Molecular Weight (g/mol) | 457.48 | |
| InChl | InChI=1S/C19H15N5O5S2/c1-31(28,29)15-6-7-16-17(8-15)30-19(21-16)22-18(25)13-4-2-12(3-5-13)10-23-11-14(9-20-23)24(26)27/h2-9,11H,10H2,1H3,(H,21,22,25) | |
| Structural Information | |
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| Clinical Information | |
| Biological Information | |
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Secondary Indication | Japanese encephalitis virus (JEV) NA P3 |   |
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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] | BHK-21
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.01 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | During infection
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Secondary Indication (Duration of drug delivery) | 48 hours
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Secondary Indication (Drug concentration) | 20 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) | Viral titre [ 2 log pfu/ml ] | |
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Reference | Fang J, Li H, Kong D, Cao S, Peng G, Zhou R, Chen H, Song Y..Structure-based discovery of two antiviral inhibitors targeting the NS3 helicase of Japanese encepha.Sci Rep. 2016 Sep 29;6:34550. doi: 10.1038/srep34550. PubMed Central PMCID: PMC5041104. PMID:27679979
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Comment | Forty-one compounds were tested for their ability to inhibit NS3 activity. Two compounds inhibited unwinding activity strongly but had no effect on the ATPase activity of the protein.
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