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Record - 1 of 2   [TOP]
Compound IDNVIC0078
Compound Structure
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InhibitorGS-441524 (Nuc)
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
PubChem ID 44468216
Drug Bank IDDB15686
ChemSpider ID28499294
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)490.0
OutcomeInhibition of replication in NiV (M-1999)
Molecular Weight (in g/mol)291.27
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bonds2
LogP-2.00
Topological Polar Surface Area (Å)149.92
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0106
Compound Structure
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InhibitorGS-441524
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
PubChem ID 56832906
Drug Bank ID\N
ChemSpider ID28499861
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)490.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
Molecular Weight (in g/mol)531.20
H-bond Acceptor10
H-bond Donor3
No. of Rotatable Bonds8
LogP-6.10
Topological Polar Surface Area (Å)330.26
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDanshu@imtech.res.in