× 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
logo
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0013
Compound Structure
DOWNLOAD:
InhibitorAB00991123
PubChem ID 17483530
Drug Bank ID
ChemSpider ID 17026724
SMILESC1CC(=CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=NN=N4
Molecular Weight (in g/mol)353.398
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)3900
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count4
XLogP4.37
PSA97.63
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com