Chemical Information
Antiviral agent ID	DrugRepV_8327
Antiviral agent name	4-ethynyl-2-fluoro-2-deoxyadenosine
IUPAC Name	(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
SMILES (canonical)	C#CC1(C(CC(O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
SMILES (isomeric)	C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
Molecular Formula	C12H12FN5O3
Molecular Weight (g/mol)	293.25
InChl	InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1
Structural Information
Clinical Information
Biological Information
Secondary Indication	SARS Coronavirus-2 (SARS-CoV-2 ) 2 Experimental
Secondary Indication (Approaches)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	MRC-5 cells
Secondary Indication (Drug concentration)	>55.3 μM
Secondary Indication (Cell based assay)	Cytopathic effect (CPE) assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Reference	Parang K, El-Sayed NS, Kazeminy AJ, Tiwari RK..Comparative Antiviral Activity of Remdesivir and Anti-HIV Nucleoside Analogs Against Human Coronavirus 229E (HCoV-229E)..Molecules. 2020 May 17;25(10):2343. doi: 10.3390/molecules25102343. PMCID: PMC7287735. PMID:32429580
Comment	The study revealed that remdesivir exhibited an EC50 value of 0.07 μM against HCoV-229E with TC50 of > 2.00 μM against MRC-5 cells.