Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_1121



Chemical Information
Antiviral agent IDDrugRepV_1121
Antiviral agent nameDobutamine Hydrochloride Drug Bank
IUPAC Name4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride PubChem
SMILES (canonical)CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.Cl PubChem
Molecular FormulaC18H24ClNO3 PubChem
Molecular Weight (g/mol)337.84 PubChem
InChlInChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H PubChem
Common NameDobutamine Drug Bank
Synonyms(+-)-4-(2-((3-(P-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol | 3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine | 4-{2-[3-(4-hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol | DL-Dobutamine | Dobutamin | Dobutamina | Dobutamine | Dobutaminum | rac-Dobutamine | Racemic-dobutamine
Structural Information
  
Clinical Information
CategoryCardiovascular agents
Primary Indication (Clinical trial phases)Approved Drug Bank
Biological Information
Primary Indication (Disease Category) Non Infectious Disease
Primary Indication (Disease)Cardiovascular disease
Secondary Indication Zika virus (ZIKV) NA MEX_I_7World Health OrganisationCDC
Secondary Indication (Approaches)Experimental-HTS
Secondary Indication (Methods)In-vitro
Secondary Indication (Model system) [cell lines/ animal models]Huh-7
Secondary Indication (Mode of viral infection)Adsorption
Secondary Indication (Viral titer)0.4 MOI
Secondary Indication (Mode of drug delivery) Culture
Secondary Indication (Time of drug delivery) Pre infection (1 hour)
Secondary Indication (Duration of drug delivery)24-26 hours
Secondary Indication (Drug concentration)13.8 μM
Secondary Indication (Cell based assay)Fluorescence-based assay
Secondary Indication (Change)Decrease
Secondary Indication (Type of Inhibition) Percentage Inhibition [ 49.705 % ]
ReferenceBarrows NJ, Campos RK, Powell ST, Prasanth KR, Schott-Lerner G, Soto-Acosta R, Galarza-Muñoz.A Screen of FDA-Approved Drugs for Inhibitors of Zika Virus Infection..Cell Host Microbe. 2016 Aug 10;20(2):259-70. doi: 10.1016/j.chom.2016.07.004. Epub 2016 Jul 28. PMID:27476412 PubMed
CommentSeveral drugs reduced ZIKV infection across multiple cell types. This study identifies drugs that could be tested in clinical studies of ZIKV infection and provides a resource of small molecules to study ZIKV pathogenesis.