× 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 IDNVIC0076
Compound Structure
DOWNLOAD:
InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-7-yl)]piperazine-1-carboxylate
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
PubChem ID 44191025
Drug Bank ID\N
ChemSpider ID24627369
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)4000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)549.42
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bonds9
LogP4.74
Topological Polar Surface Area (Å)82.19
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in