× Home About Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with COCONUT compounds Similarity with ZINC Lead-like compounds Priority Inhibitors Cluster Visualization Submission Useful Resources Downloads Contact Us
logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0114
Compound Structure
DOWNLOAD:
InhibitorGliotoxin
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
PubChem ID 6223
Drug Bank ID\N
ChemSpider ID5988
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)149.0
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)326.39
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds1
LogP-2.10
Topological Polar Surface Area (Å)131.68
PUBMED ID19889218
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
Curator Email IDkanikatuteja@gmail.com