× 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 IDNVIC0050
Compound Structure
DOWNLOAD:
InhibitorBHQ(2,5-di-(t-butyl)-1,4-hydroquinone)
PubChem ID 2374
Drug Bank ID
ChemSpider ID 2283
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
Molecular Weight (in g/mol)222.328
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)12210
EC50 (in nM)
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bond Count2
XLogP4.46
PSA40.46
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com