Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_0568



Chemical Information
Antiviral agent IDDrugRepV_0568
Antiviral agent nameSalmeterol Drug Bank
IUPAC Name2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol PubChem
SMILES (canonical)C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O PubChem
Molecular FormulaC25H37NO4 PubChem
Molecular Weight (g/mol)415.57 PubChem
InChlInChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 PubChem
Common NameSalmeterol Drug Bank
SynonymsSalmaterol | Salmeterolum
Structural Information
  
Clinical Information
CategoryRespiratory System
Primary Indication (Clinical trial phases)Approved Drug Bank
Biological Information
Primary Indication (Disease Category) Non Infectious Disease
Primary Indication (Disease)Asthma | Chronic obstructive pulmonary disease
Primary Indication (Drug target/Mode of Action) High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Secondary Indication Ebola virus (EBOV) NA EBOVBlaVP40World Health OrganisationCDC
Secondary Indication (Approaches)Experimental
Secondary Indication (Methods)In-vitro
Secondary Indication (Model system) [cell lines/ animal models]HeLa
Secondary Indication (Mode of viral infection)Adsorption
Secondary Indication (Viral titer)23 nL/well
Secondary Indication (Mode of drug delivery) Culture
Secondary Indication (Time of drug delivery) Pre infection (1 hour)
Secondary Indication (Drug concentration)9.68 μM
Secondary Indication (Cell based assay)Fluorescence-based assay
Secondary Indication (Change)Decrease
Secondary Indication (Type of Inhibition) IC50 [ 50 % ]
Secondary Indication (Cytotoxicity)>500 μM
ReferenceKouznetsova J, Sun W, Martínez-Romero C, Tawa G, Shinn P, Chen CZ, Schimmer A, Sanderson P, M.Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen o.Emerg Microbes Infect. 2014 Dec;3(12):e84. doi: 10.1038/emi.2014.88. Epub 2014 Dec 17. PMID:26038505 PubMed
CommentApproved drugs inhibiting Ebola virus entry into host cells. 53 drugs were identified with activity of blocking Ebola VLP entry into cells. These 53 active compounds can be divided into categories including microtubule inhibitors, estrogen receptor modulators, antihistamines, antipsychotics, pump/channel antagonists, and anticancer/antibiotics