Chemical Information
Antiviral agent ID	DrugRepV_7189
Antiviral agent name	N1-(4-fluorophenyl)-N2-(4-methyl-2-(thiophen-3-yl) phenyl)phthalamide
IUPAC Name	N1-(4-fluorophenyl)-N2-[4-methyl-2-(thiophen-3-yl)phenyl]benzene-1,2-dicarboxamide
SMILES (canonical)	CC1=CC(C2=CSC=C2)=C(NC(=O)C2=CC=CC=C2C(=O)NC2=CC=C(F)C=C2)C=C1
Molecular Formula	C25H19FN2O2S
Molecular Weight (g/mol)	430.5
InChl	InChI=1S/C25H19FN2O2S/c1-16-6-11-23(22(14-16)17-12-13-31-15-17)28-25(30)21-5-3-2-4-20(21)24(29)27-19-9-7-18(26)8-10-19/h2-15H,1H3,(H,27,29)(H,28,30)
Structural Information
Clinical Information
Biological Information
Secondary Indication	Yellow fever virus (YFV) NA NA
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	ATCCCCL-81
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	6.5 μM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Secondary Indication (Cytotoxicity)	67 μM
Reference	Saudi M, Zmurko J, Kaptein S, Rozenski J, Gadakh B, Chaltin P, Marchand A, Neyts J, Van Aerschot A..Synthetic strategy and antiviral evaluation of diamide containing heterocycles targeting dengue and yellow fever virus..Eur J Med Chem. 2016 Oct 4;121:158-168. doi: 10.1016/j.ejmech.2016.05.043. Epub 2016 May 21. PubMed PMID:27240271
Comment	The initial lead compound 1 was included as a reference compound that comprise of central imidazole ring B.