× Home Simple Search Query Builder Structure Search Browse SAVIOR's Stats Properties Priority Inhibitors Similarity with FDA Approved Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources Contact Us
SAVIOR Search
Record - 1 of 1   [TOP]
Inhibitor IDSARSCOV2-0224
Inhibitor NamePemirolast
FormulaC10H8N6O
SMILESCC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
Inhibitor Structure
DOWNLOAD:
PubChem ID 57697
Drug Bank ID DB00885 (APRD00394)
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1)
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Test
Outcome
Molecular Weight228.22
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bond Count1
XLogP1.46
PSA87.13
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/Treatment_of_COVID-19_patients______Justicia_adhatoda_leaves_extract_is_a_strong_remedy_for_COVID-19_Case_report_analysis_and_docking_based_study/12038604/1
DOI 
Curator NamePriyanka
Curatorshukla.ankita39@gmail.com