Chemical Information
Antiviral agent ID	DrugRepV_3763
Antiviral agent name	MLS000554255
IUPAC Name	2-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-2-methylpropane-1-sulfonate
SMILES (canonical)	CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCO
Molecular Formula	C11H24N2O5S
Molecular Weight (g/mol)	296.382
InChl	InChI=1S/C11H24N2O5S/c1-11(2,9-19(16,17)18)12-10(15)5-6-13(3,4)7-8-14/h14H,5-9H2,1-4H3,(H-,12,15,16,17,18)
Synonyms	SMR000146572 | 2-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-2-methylpropane-1-sulfonate | AC1M0E2N
Structural Information
Clinical Information
Biological Information
Secondary Indication	Ebola virus (EBOV) NA Mayinga
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	HeLa
Secondary Indication (Viral titer)	0.075 to 0.15 MOI
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Duration of drug delivery)	24 hours
Secondary Indication (Drug concentration)	6.8 ± 0.75 μM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	IC50 [ 50 % ]
Secondary Indication (Cytotoxicity)	>50 μM
Reference	Anantpadma M, Kouznetsova J, Wang H, Huang R, Kolokoltsov A, Guha R, Lindstrom AR, Shtanko O, Simeonov A, Maloney DJ, Maury W, LaCount DJ, Jadhav A, Davey RA..Large-Scale Screening and Identification of Novel Ebola Virus and Marburg Virus Entry Inhibitors..Antimicrob Agents Chemother. 2016 Jul 22;60(8):4471-81. doi: 10.1128/AAC.00543-16. Print 2016 Aug. P PMID:27161622
Comment	Each compound blocked infection of primary human macrophages, indicating their potential to be developed as new antifiloviral therapies.