Chemical Information
Antiviral agent ID	DrugRepV_4137
Antiviral agent name	3-{3-[(1E)-1-{[2-(cyclohexylamino)ethoxy]imino}ethyl]phenyl}-5-ethyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
IUPAC Name	3-{3-[(1E)-1-{[2-(cyclohexylamino)ethoxy]imino}ethyl]phenyl}-5-ethyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
SMILES (canonical)	CCC1=NC2=C(N=NN2C2=CC(=CC=C2)C(\C)=N\OCCNC2CCCCC2)C(=O)N1
Molecular Formula	C22H29N7O2
Molecular Weight (g/mol)	423.521
InChl	InChI=1S/C22H29N7O2/c1-3-19-24-21-20(22(30)25-19)26-28-29(21)18-11-7-8-16(14-18)15(2)27-31-13-12-23-17-9-5-4-6-10-17/h7-8,11,14,17,23H,3-6,9-10,12-13H2,1-2H3,(H,24,25,30)/b27-15+
Structural Information
Clinical Information
Biological Information
Secondary Indication	Chikungunya virus (CHIKV) NA 899
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	Vero
Secondary Indication (Viral titer)	0.01 MOI
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Time of drug delivery)	Post infection
Secondary Indication (Duration of drug delivery)	5 days
Secondary Indication (Drug concentration)	135 ± 46 μM
Secondary Indication (Cell based assay)	CPE inhibition assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Secondary Indication (Cytotoxicity)	383 ± 269 μM
Reference	Gigante A, Gomez-SanJuan A, Delang L, Li C, Bueno O, Gamo AM, Priego EM, Camarasa MJ, Jochmans D, Leyssen P, Decroly E, Coutard B, Querat G, Neyts J, Perez-Perez MJ..Antiviral activity of [1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-ones against chikungunya virus targeting the viral capping nsP1..Antiviral Res. 2017 Aug;144:216-222. doi: 10.1016/j.antiviral.2017.06.003. Epub 2017 Jun 12. PMID:28619679
Comment	NA