× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources NVIK VirtualBox Contact Us
Developed & Hosted by:
CSIR-Institute of Microbial Technology, Sector-39A, Chandigarh, India (160036).
*Best view resolution at 1920x1080 px on 24" screen

logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0014
Compound Structure
DOWNLOAD:
InhibitorAB00992391
PubChem ID 8189728
Drug Bank ID
ChemSpider ID 6491411
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
Molecular Weight (in g/mol)337.305
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)11700
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count4
XLogP2.78
PSA97.63
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com