Chemical Information
Antiviral agent ID	DrugRepV_4608
Antiviral agent name	5-chloropyridin-3-yl1H-indole-6-carboxylate
IUPAC Name	5-chloropyridin-3-yl 1H-indole-6-carboxylate
SMILES (canonical)	C1=CC(=CC2=C1C=CN2)C(=O)OC3=CC(=CN=C3)Cl
Molecular Formula	C14H9ClN2O2
Molecular Weight (g/mol)	272.69
InChl	InChI=1S/C14H9ClN2O2/c15-11-6-12(8-16-7-11)19-14(18)10-2-1-9-3-4-17-13(9)5-10/h1-8,17H
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]	VeroE6
Secondary Indication (Viral titer)	300 TCID50
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Time of drug delivery)	Post infection
Secondary Indication (Duration of drug delivery)	48 hours
Secondary Indication (Drug concentration)	0.23 ± 0.04 μM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	IC50 [ 50 % ]
Reference	Ghosh AK, Gong G, Grum-Tokars V, Mulhearn DC, Baker SC, Coughlin M, Prabhakar BS, Sleeman K, Johnson ME, Mesecar AD..Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors..Bioorg Med Chem Lett. 2008 Oct 15;18(20):5684-8. doi: 10.1016/j.bmcl.2008.08.082. Epub 2008 Aug 28. PMID:18796354
Comment	Inhibitor 10 with a 5-chloropyridinyl ester at position 4 of the indole ring is the most potent inhibitor with a SARS 3Clpro IC50 value of 30 nM and antiviral EC50 value of 6.9 μM.