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Record - 1 of 2   [TOP]
Compound IDNVIC0125
Compound Structure
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Inhibitor7402683 (methyl-N-[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-N-cyanoglycinate)
SMILESCCNC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)(C)C
PubChem ID 755369
Drug Bank ID\N
ChemSpider ID660664
Targetfusion glycoprotein (NiV-F)
Assay TypeReporter assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
IC50 (nM)0.0
EC50 (in nM)0.0
OutcomeInhibited the entry of NiV-F0 virus
Molecular Weight (in g/mol)307.35
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds8
LogP1.63
Topological Polar Surface Area (Å)116.06
PUBMED ID24501399
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0129
Compound Structure
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Inhibitor5705213 {methyl-N-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-N-cyanoglycinate}
SMILESCC(C)NC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C
PubChem ID 826236
Drug Bank ID\N
ChemSpider ID721677
Targetfusion glycoprotein (NiV-F)
Assay TypeReporter assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
IC50 (nM)0.0
EC50 (in nM)0.0
OutcomeInhibited the entry of NiV-F0 virus
Molecular Weight (in g/mol)307.35
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds8
LogP1.67
Topological Polar Surface Area (Å)116.06
PUBMED ID24501399
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
Curator Email IDnishisharmacool14@gmail.com