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Record - 1 of 2   [TOP]
Compound IDNVIC0001
Compound Structure
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InhibitorGS-441524
PubChem ID 56832906
Drug Bank ID
ChemSpider ID 28499861
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N
Molecular Weight (in g/mol)531.202
TargetRNA dependent RNA Polymerase
Assay TypeReporter Virus assay
Assay DescriptionFour-parameter variable slope non-linear regression fitting
Assay Source
Cell TypeHeLa or 293?T/17 cells
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
IC50 (in nM)
EC50 (in nM)490
H-bond Acceptor10
H-bond Donor3
No. of Rotatable Bond Count8
XLogP-6.1
PSA330.26
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
Curatoranshu@imtech.res.in

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0098
Compound Structure
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InhibitorGS-441524 (Nuc)
PubChem ID 44468216
Drug Bank IDDB15686
ChemSpider ID 28499294
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
Molecular Weight (in g/mol)291.267
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay (VTR)
Assay DescriptionFour-parameter variable slope non-linear regression fitting
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa cells
OutcomeInhibition of replication in NiV (M-1999)
IC50 (in nM)
EC50 (in nM)490
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-2
PSA149.92
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
Curatorpriyankapaul008@gmail.com