× 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 IDNVIC0026
Compound Structure
DOWNLOAD:
InhibitorBrilliant Green
PubChem ID 12450
Drug Bank IDDB11279
ChemSpider ID 11942
SMILESCCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3
Molecular Weight (in g/mol)385.6
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)218
EC50 (in nM)
H-bond Acceptor1
H-bond Donor0
No. of Rotatable Bond Count7
XLogP8.33
PSA6.25
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com