Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_1994



Chemical Information
Antiviral agent IDDrugRepV_1994
Antiviral agent nameHydroxychloroquine Sulfate Drug Bank
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid PubChem
SMILES (canonical)CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O PubChem
Molecular FormulaC18H28ClN3O5S PubChem
Molecular Weight (g/mol)433.95 PubChem
InChlInChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4) PubChem
Synonyms2-((4-((7-Chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol sulfate | 2-((4-((7-chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethan-1-ol sulfate | Ethanol, monosulfate | hydroxychloroquine; sulfuric acid
Structural Information
  
Clinical Information
CategoryAntiparasitic products, Insectisides and Repellents
Primary Indication (Clinical trial phases)Approved Drug Bank
Biological Information
Primary Indication (Disease Category) Infectious Disease
Primary Indication (Disease)Malaria
Secondary Indication Severe acute respiratory syndrome coronavirus (SARS-CoV) NA NAWorld Health OrganisationCDC
Secondary Indication (Approaches)Experimental-HTS
Secondary Indication (Methods)in-vitro
Secondary Indication (Model system) [cell lines/ animal models]VeroE6
Secondary Indication (Mode of viral infection)Adsorption
Secondary Indication (Viral titer)1 MOI
Secondary Indication (Mode of drug delivery) Culture
Secondary Indication (Time of drug delivery) Pre infection (1 hour)
Secondary Indication (Duration of drug delivery)48 hours
Secondary Indication (Drug concentration)7.966 μM
Secondary Indication (Cell based assay)Cytopathic effect (CPE) assay
Secondary Indication (Change)Decrease
Secondary Indication (Type of Inhibition) EC50 [ 50 % ]
ReferenceDyall J, Coleman CM, Hart BJ, Venkataraman T, Holbrook MR, Kindrachuk J, Johnson RF, Olinger GG Jr,.Repurposing of clinically developed drugs for treatment of Middle East respiratory syndrome coronavi.Antimicrob Agents Chemother. 2014 Aug;58(8):4885-93. doi: 10.1128/AAC.03036-14. Epub 2014 May 19. PMID:24841273 PubMed
CommentDrugs identified in these screens provide new targets for in vivo studies as well as incorporation into ongoing clinical studies.