× 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 IDNVIC0007
Compound Structure
DOWNLOAD:
InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbam
PubChem ID 44191117
Drug Bank ID
ChemSpider ID 24618777
SMILESCCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F
Molecular Weight (in g/mol)561.435 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)3000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.86
PSA82.19
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in