Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_0514



Chemical Information
Antiviral agent IDDrugRepV_0514
Antiviral agent nameSertraline Drug Bank
IUPAC Name(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine PubChem
SMILES (canonical)CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl PubChem
SMILES (isomeric)CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl PubChem
Molecular FormulaC17H17Cl2N PubChem
Molecular Weight (g/mol)306.23 PubChem
InChlInChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 PubChem
Common NameSertraline Drug Bank
Synonyms(+)-Sertraline | (1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine | (1S,4S)-sertraline | cis-(+)-sertraline | Sertralina | Sertraline | Sertralinum
Structural Information
  
Clinical Information
CategoryNervous System
Primary Indication (Clinical trial phases)Approved Drug Bank
Biological Information
Primary Indication (Disease Category) Non Infectious Disease
Primary Indication (Disease)Depressive disorder | Post-traumatic stress disorder | Obsessive-compulsive disorder | Panic disorder | Premenstrual dysphoric disorder | Social anxiety disorder
Primary Indication (Drug target/Mode of Action) Microtubule cross-linking factor 1
Secondary Indication Ebola virus (EBOV) NA EBOV/MayWorld Health OrganisationCDC
Secondary Indication (Approaches)Experimental
Secondary Indication (Methods)In-vitro
Secondary Indication (Model system) [cell lines/ animal models]Vero
Secondary Indication (Mode of viral infection)Adsorption
Secondary Indication (Viral titer)0.2 MOI
Secondary Indication (Mode of drug delivery) Culture
Secondary Indication (Drug concentration)3.73 ± 0.62 μM
Secondary Indication (Cell based assay)Fluorescence-based assay
Secondary Indication (Change)Decrease
Secondary Indication (Type of Inhibition) IC50 [ 50 % ]
Secondary Indication (Cytotoxicity)20 μM
ReferenceJohansen LM, DeWald LE, Shoemaker CJ, Hoffstrom BG, Lear-Rooney CM, Stossel A, Nelson E, Delos SE, S.A screen of approved drugs and molecular probes identifies therapeutics with anti-Ebola virus activi.Sci Transl Med. 2015 Jun 3;7(290):290ra89. doi: 10.1126/scitranslmed.aaa5597. PMID:26041706 PubMed
CommentAntiviral activity was found for 80 U.S. Food and Drug Administration-approved drugs spanning multiple mechanistic classes, including selective estrogen receptor modulators, antihistamines, calcium channel blockers, and antidepressants. Results using an in vivo murine Ebola virus infection model confirmed the protective ability of several drugs, such as bepridil and sertraline. Viral entry assays indicated that most of these antiviral drugs block a late stage of viral entry. By nature of their approved status, these drugs have the potential to be rapidly advanced to clinical settings and used as therapeutic countermeasures for Ebola virus infections.