Chemical Information
Antiviral agent ID	DrugRepV_8143
Antiviral agent name	Monensin sodium salt
IUPAC Name	sodium;(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
SMILES (canonical)	CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]
SMILES (isomeric)	CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+]
Molecular Formula	C36H61NaO11
Molecular Weight (g/mol)	692.9
InChl	InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
Synonyms	Sodium monensin | Monensin A sodium salt | dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
Structural Information
Clinical Information
Primary Indication (Clinical trial phases)	Experimental, Vet approved
Biological Information
Secondary Indication	Vaccinia virus (VACV) NA NA
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	HeLa cells
Secondary Indication (Viral titer)	0.01 MOI
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Duration of drug delivery)	24 hours
Secondary Indication (Drug concentration)	10 μM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	Percent inhibition [ 96.7 % ]
Reference	Peng C, Zhou Y, Cao S, Pant A, Campos Guerrero ML, McDonald P, Roy A, Yang Z..Identification of Vaccinia Virus Inhibitors and Cellular Functions Necessary for Efficient Viral Replication by Screening Bioactives and FDA-Approved Drugs..Vaccines (Basel). 2020 Jul 21;8(3):E401. doi: 10.3390/vaccines8030401. PMID:32708182
Comment	A customized compound library was screened that contained over 3200 bioactives and FDA (Food and Drug Administration)-approved chemicals, most having known cellular targets, for their inhibitory effects on VACV replication. We identified over 140 compounds that suppressed VACV replication. Many of these hits target cellular pathways previously reported to be required for efficient VACV replication, validating the effectiveness of our screening.