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Record - 1 of 2   [TOP]
Compound IDNVIC0033
Compound Structure
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Inhibitor5705213 {methyl-N-[4,6-bis(isopropylamino)-1,3,5-t
PubChem ID 826236
Drug Bank ID
ChemSpider ID 721677
SMILESCC(C)NC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C
Molecular Weight (in g/mol)307.352
TargetNiV glycoprotein
Assay TypeHigh throughput screening assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
OutcomeInhibited the entry of NiV-F0 virus
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bond Count8
XLogP1.67
PSA116.06
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
PubMed ID [Source Literature] 24501399
Curatornishisharmacool14@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0034
Compound Structure
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Inhibitor7402683 (methyl-N-[4-(tert-butylamino)-6-(ethylami
PubChem ID 755369
Drug Bank ID
ChemSpider ID 660664
SMILESCCNC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)(C)C
Molecular Weight (in g/mol)307.352
TargetNiV glycoprotein
Assay TypeHigh throughput screening assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
OutcomeInhibited the entry of NiV-F0 virus
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bond Count8
XLogP1.63
PSA116.06
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
PubMed ID [Source Literature] 24501399
Curatornishisharmacool14@gmail.com