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Record - 1 of 7   [TOP]
Compound IDNVIC0019
Compound Structure
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InhibitorRibavirin
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight (in g/mol)244.207
TargetRNA replication
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay SourceValeant
Cell TypeHeLa cells
OutcomeReduce the spread and infection of NiV
IC50 (in nM)4180
EC50 (in nM)
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3
PSA143.72
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
PubMed ID [Source Literature] 19889926
Curatornishisharmacool14@gmail.com

                  
Record - 2 of 7   [TOP]
Compound IDNVIC0024
Compound Structure
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InhibitorGliotoxin
PubChem ID 6223
Drug Bank ID
ChemSpider ID 5988
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
Molecular Weight (in g/mol)326.385
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)149
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count1
XLogP-2.1
PSA131.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 3 of 7   [TOP]
Compound IDNVIC0025
Compound Structure
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InhibitorGentian Violet
PubChem ID 3468
Drug Bank IDDB00406
ChemSpider ID 3349
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
Molecular Weight (in g/mol)372.5
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)525
EC50 (in nM)
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bond Count4
XLogP5.51
PSA9.49
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 4 of 7   [TOP]
Compound IDNVIC0026
Compound Structure
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InhibitorBrilliant Green
PubChem ID 12450
Drug Bank IDDB11279
ChemSpider ID 11942
SMILESCCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3
Molecular Weight (in g/mol)385.6
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)218
EC50 (in nM)
H-bond Acceptor1
H-bond Donor0
No. of Rotatable Bond Count7
XLogP8.33
PSA6.25
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 5 of 7   [TOP]
Compound IDNVIC0027
Compound Structure
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InhibitorBortezomib
PubChem ID 387447
Drug Bank IDDB00188
ChemSpider ID 343402
SMILESB(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
Molecular Weight (in g/mol)384.243
TargetNiV matrix protein
Assay TypeDose-response assay
Assay DescriptionVirus Titre Reduction assay
Assay SourceChemieTek
Cell TypeHeLa cells
OutcomeInhibition of NiV infection.
IC50 (in nM)2.7
EC50 (in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count11
XLogP3.23
PSA124.44
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
PubMed ID [Source Literature] 21085610
Curatorkanikatuteja@gmail.com

                  
Record - 6 of 7   [TOP]
Compound IDNVIC0028
Compound Structure
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InhibitorMG132
PubChem ID 462382
Drug Bank ID
ChemSpider ID 406728
SMILESCC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
Molecular Weight (in g/mol)475.63
TargetNiV matrix protein
Assay TypeDose-response assay
Assay DescriptionVirus Titre Reduction assay
Assay SourceCalbiochem
Cell TypeHeLa cells
OutcomeReduction in viral titers
IC50 (in nM)0.47
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count18
XLogP6.81
PSA113.60
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
PubMed ID [Source Literature] 21085610
Curatorkanikatuteja@gmail.com

                  
Record - 7 of 7   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorChloroquine
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight (in g/mol)319.877
TargetRNA replication
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma
Cell TypeHeLa cells
OutcomeReduce the spread and infection of NiV
IC50 (in nM)620
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP4.14
PSA28.16
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
PubMed ID [Source Literature] 19889926
Curatornishisharmacool14@gmail.com