| Chemical Information | |
| Antiviral agent ID | DrugRepV_3639 | |
| Antiviral agent name | 2-[3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-oxopropyl]propanedinitrile | |
| IUPAC Name | 2-[3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-oxopropyl]propanedinitrile |  |
| SMILES (canonical) | COC1=CC=CC(=C1)C(CC(=O)C1=CC=C(Cl)C=C1)C(C#N)C#N | |
| Molecular Formula | C19H15ClN2O2 | |
| Molecular Weight (g/mol) | 338.79 | |
| InChl | InChI=1/C19H15ClN2O2/c1-24-17-4-2-3-14(9-17)18(15(11-21)12-22)10-19(23)13-5-7-16(20)8-6-13/h2-9,15,18H,10H2,1H3 | |
| Structural Information | |
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| Clinical Information | |
| Biological Information | |
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Secondary Indication | Ebola virus (EBOV) NA Zaire |   |
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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] | VeroE6
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Secondary Indication (Viral titer) | 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) | 10 μM
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Secondary Indication (Cell based assay) | Luciferase 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) | 51.5 μM | |
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Reference | Basu A, Li B, Mills DM, Panchal RG, Cardinale SC, Butler MM, Peet NP, Majgier-Baranowska H, Williams JD, Patel I, Moir DT, Bavari S, Ray R, Farzan MR, Rong L, Bowlin TL..Identification of a small-molecule entry inhibitor for filoviruses..J Virol. 2011 Apr;85(7):3106-19. doi: 10.1128/JVI.01456-10. Epub 2011 Jan 26. PubMed Central PMCID: PMID:21270170
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Comment | A benzodiazepine derivative (compound 7) was identified from a high-throughput screen (HTS) of small-molecule compound libraries utilizing the pseudotype virus.
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