× 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 IDNVIC0082
Compound Structure
DOWNLOAD:
InhibitorCholecalciferol
PubChem ID 5280795
Drug Bank ID
ChemSpider ID 4444353
SMILESCC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight (in g/mol)384.648
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)55630
EC50 (in nM)
H-bond Acceptor1
H-bond Donor1
No. of Rotatable Bond Count6
XLogP9.89
PSA20.23
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com