| Chemical Information | |
| Antiviral agent ID | DrugRepV_5722 | |
| Antiviral agent name | BIBU 1361 | |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)piperidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;dihydrochloride |  |
| SMILES (canonical) | CCN(CC)CC1CCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl.Cl.Cl | |
| Molecular Formula | C22H29Cl3FN7 | |
| Molecular Weight (g/mol) | 516.871 | |
| InChl | InChI=1S/C22H27ClFN7.2ClH/c1-3-30(4-2)13-15-7-9-31(10-8-15)22-25-12-19-20(29-22)21(27-14-26-19)28-16-5-6-18(24)17(23)11-16;;/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3,(H,26,27,28);2*1H | |
| Common Name | Bibu 1361 dihydrochloride |  |
| Synonyms | BIBU 1361 DIHYDROCHLORIDE | RT-011505 | |
| Structural Information | |
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| Clinical Information | |
| Biological Information | |
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Secondary Indication | Dengue virus (DENV) 2 New Guinea C |   |
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Secondary Indication (Approaches) | Experimental-HTS | |
| Secondary Indication (Methods) | In-vitro | |
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Secondary Indication (Model system) [cell lines/ animal models] | HEK-293
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Secondary Indication (Mode of viral infection) | Culture
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Secondary Indication (Viral titer) | 0.5 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Post infection
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Secondary Indication (Duration of drug delivery) | 48 hours
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Secondary Indication (Drug concentration) | 3.09 ± 0.13 μM
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Secondary Indication (Cell based assay) | Fluorescence-based assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | IC50 [ 50 % ] | |
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Reference | Shum D, Smith JL, Hirsch AJ, Bhinder B, Radu C, Stein DA, Nelson JA, FrÌÄå_h K, Djaballah H..High-content assay to identify inhibitors of dengue virus infection..Assay Drug Dev Technol. 2010 Oct;8(5):553-70. doi: 10.1089/adt.2010.0321. PMID:20973722
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Comment | Nuclease of Dengue virus was targetd. Assay control statistics show an average Z‰Ûª of 0.63, indicative of a robust assay in this cell-based format. Using a threshold of >80% DENV inhibition with <20% cellular cytotoxicity, 79 compounds were initially scored as positive hits. A follow-up screen confirmed 73 compounds with IC50 potencies ranging from 60 nM to 9 mM and yielding a hit rate of 1.3%. Over half of the confirmed hits are known to target trans- porters, receptors, and protein kinases, providing potential opportunity for drug repurposing to treat DENV infections.
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