× 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 2   [TOP]
Compound IDNVIC0014
Compound Structure
DOWNLOAD:
InhibitorA23187
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
PubChem ID 11957499
Drug Bank ID\N
ChemSpider ID10131749
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA)
Cell TypeVero cells
IC50 (nM)70.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)523.63
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds7
LogP4.48
Topological Polar Surface Area (Å)126.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0026
Compound Structure
DOWNLOAD:
InhibitorFD012
SMILESOC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)C=C1/SC(=S)N(CCC2=CC=C(OCC3CC3)C=C2)C1=O
PubChem ID 155669302
Drug Bank ID\N
ChemSpider ID\N
Targetclass I viral fusion protein
Assay TypeCytotoxicity, pseudo virus infection inhibition
Assay DescriptionLuciferase activity
Assay SourceAmerican Type Culture Collection (ATCC)
Cell TypeU87
IC50 (nM)70.0
EC50 (in nM)0.0
Outcomeinhibition of class I viral fusion protein
Molecular Weight (in g/mol)540.05
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds9
LogP6.47
Topological Polar Surface Area (Å)137.37
PUBMED ID35336896
Referencehttps://pubmed.ncbi.nlm.nih.gov/35336896/
Curator Email IDbhupender.thakur855@gmail.com