× 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 IDNVIC0008
Compound Structure
DOWNLOAD:
Inhibitor7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4
PubChem ID 44191023
Drug Bank ID
ChemSpider ID 24623404
SMILESC1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)C(=O)N)F)C(=O)NCC5=C(C=C(C=C5)Cl)Cl
Molecular Weight (in g/mol)531.409 g/mol
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay Descriptionsize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
Outcomeinhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)1500
H-bond Acceptor10
H-bond Donor2
No. of Rotatable Bond Count7
XLogP4.02
PSA95.74
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in