Chemical Information
Antiviral agent ID	DrugRepV_4429
Antiviral agent name	2-[(1H-benzimidazol-2-ylmethyl)thio]-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazole
IUPAC Name	2-[(1H-benzimidazol-2-ylmethyl)thio]-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazole
SMILES (canonical)	CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5N4
Molecular Formula	C24H22N4OS
Molecular Weight (g/mol)	414.5
InChl	InChI=1S/C24H22N4OS/c1-17-10-12-18(13-11-17)29-15-14-28-22-9-5-4-8-21(22)27-24(28)30-16-23-25-19-6-2-3-7-20(19)26-23/h2-13H,14-16H2,1H3,(H,25,26)
Structural Information
Clinical Information
Biological Information
Secondary Indication	Severe acute respiratory syndrome coronavirus (SARS-CoV) NA S, amino acids 674 to 683
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	293FT
Secondary Indication (Viral titer)	1 μM
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	40 μM
Secondary Indication (Cell based assay)	CatL-Peptide cleavage
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	Percentage inhibition [ 57.39 % ]
Reference	Elshabrawy HA, Fan J, Haddad CS, Ratia K, Broder CC, Caffrey M, Prabhakar BS..Identification of a broad-spectrum antiviral small molecule against severe acute respiratory syndrome coronavirus and Ebola, Hendra, and Nipah viruses by using a novel high-throughput screening assay..J Virol. 2014 Apr;88(8):4353-65. doi: 10.1128/JVI.03050-13. Epub 2014 Feb 5. PubMed Central PMCID: P PMID:24501399
Comment	A novel broad-spectrum small molecule that could block cathepsin L-mediated cleavage was identified and thus inhibit the entry of pseudotypes bearing the glycoprotein derived from SARS-CoV or Ebola, Hendra, or Nipah virus. The small molecule can be further optimized and developed into a potent broad-spectrum antiviral drug.