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Record - 1 of 3   [TOP]
Compound IDNVIC0016
Compound Structure
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InhibitorBrilliant Green
SMILESCCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3
PubChem ID 12450
Drug Bank IDDB11279
ChemSpider ID11942
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)218.0
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)385.60
H-bond Acceptor1
H-bond Donor0
No. of Rotatable Bonds7
LogP8.33
Topological Polar Surface Area (Å)6.25
PUBMED ID19889218
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0062
Compound Structure
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InhibitorGentian Violet
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
PubChem ID 3468
Drug Bank IDDB00406
ChemSpider ID3349
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)525.0
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)372.50
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bonds4
LogP5.51
Topological Polar Surface Area (Å)9.49
PUBMED ID19889218
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0114
Compound Structure
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InhibitorGliotoxin
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
PubChem ID 6223
Drug Bank ID\N
ChemSpider ID5988
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)149.0
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)326.39
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds1
LogP-2.10
Topological Polar Surface Area (Å)131.68
PUBMED ID19889218
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
Curator Email IDkanikatuteja@gmail.com