Chemical Information
Antiviral agent ID	DrugRepV_7823
Antiviral agent name	5-Chloropyridin-3-yl-thiazole-4-carboxylate
IUPAC Name	(5-chloropyridin-3-yl) 1,3-thiazole-4-carboxylate
SMILES (canonical)	C1=C(C=NC=C1Cl)OC(=O)C2=CSC=N2
Molecular Formula	C9H5ClN2O2S
Molecular Weight (g/mol)	240.67
InChl	InChI=1S/C9H5ClN2O2S/c10-6-1-7(3-11-2-6)14-9(13)8-4-15-5-12-8/h1-5H
Common Name	5-chloropyridin-3-yl-thiazole-4-carboxylate
Synonyms	BDBM50208938 | 5-chloropyridin-3-yl thiazole-4-carboxylate | 5-chloropyridin-3-yl-thiazole-4-carboxylate
Structural Information
Clinical Information
Biological Information
Secondary Indication	Severe acute respiratory syndrome coronavirus (SARS-CoV) NA NA
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	270 nM
Secondary Indication (Cell based assay)	Fluorometric assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	IC50 [ 50 % ]
Reference	Zhang J, Pettersson HI, Huitema C, Niu C, Yin J, James MN, Eltis LD, Vederas JC..Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters..J Med Chem. 2007 Apr 19;50(8):1850-64. doi: 10.1021/jm061425k. PMID:17381079
Comment	A series of tetrapeptide phthalhydrazide ketones, pyridinyl esters, and their analogs have been designed, synthesized, and evaluated as potential SARS 3CLpro inhibitors. Some pyridinyl esters are identified as very potent inhibitors, with IC50 values in the nanomolar range (50-65 nM).