Chemical Information
Antiviral agent ID	DrugRepV_4619
Antiviral agent name	Calpain VI inhibitor
IUPAC Name	(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILES (canonical)	CC(C)CC(C=O)NC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)F
SMILES (isomeric)	CC(C)C[C@@H](C=O)NC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)F
Molecular Formula	C17H25FN2O4S
Molecular Weight (g/mol)	372.455
InChl	InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
Structural Information
Clinical Information
Biological Information
Secondary Indication	Severe acute respiratory syndrome coronavirus (SARS-CoV) NA Urbani
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	Vero76
Secondary Indication (Mode of viral infection)	Adsorption
Secondary Indication (Viral titer)	<0.007 CCID50 per cell
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Time of drug delivery)	During infection
Secondary Indication (Duration of drug delivery)	3 days
Secondary Indication (Drug concentration)	>37 μg/ml
Secondary Indication (Cell based assay)	Cytopathic effect (CPE) assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	IC50 [ 50 % ]
Reference	Day CW, Baric R, Cai SX, Frieman M, Kumaki Y, Morrey JD, Smee DF, Barnard DL..A new mouse-adapted strain of SARS-CoV as a lethal model for evaluating antiviral agents in vitro and in vivo..Virology. 2009 Dec 20;395(2):210-22. doi: 10.1016/j.virol.2009.09.023. Epub 2009 Oct 22. PubMed Cent PMID:19853271
Comment	In v2163-infected mice, AmpligenTM was fully protective, stinging nettle lectin (UDA) was partially protective, ribavirin was disputable and possibly exacerbated disease, and EP128533 was inactive. Ribavirin, UDA, and AmpligenTM decreased IL-6 expression.