× 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 IDNVIC0045
Compound Structure
DOWNLOAD:
Inhibitor1-N,4-N-bis(3-phenylphenyl)piperazine-1,4-dicarboxamide
SMILESC1CN(CCN1C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CC=C5
PubChem ID 235811
Drug Bank ID\N
ChemSpider ID205764
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)476.60
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bonds8
LogP9.99
Topological Polar Surface Area (Å)64.68
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com