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Record - 1 of 54   [TOP]
Compound IDNVIC0006
Compound Structure
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InhibitorU73122
SMILESCC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
PubChem ID 104794
Drug Bank ID\N
ChemSpider ID94596
TargetInhibits PLC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)36320.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)464.65
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bonds9
LogP6.17
Topological Polar Surface Area (Å)58.64
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 54   [TOP]
Compound IDNVIC0009
Compound Structure
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InhibitorBenzamil
SMILESC1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
PubChem ID 108107
Drug Bank ID\N
ChemSpider ID97202
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)65040.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)319.75
H-bond Acceptor7
H-bond Donor5
No. of Rotatable Bonds6
LogP2.35
Topological Polar Surface Area (Å)142.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 3 of 54   [TOP]
Compound IDNVIC0010
Compound Structure
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InhibitorRyanodine
SMILESCC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
PubChem ID 11317883
Drug Bank ID\N
ChemSpider ID16736002
TargetStimulates calcium release from the ER via ryanodine receptors.
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)65710.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)493.55
H-bond Acceptor10
H-bond Donor7
No. of Rotatable Bonds4
LogP0.16
Topological Polar Surface Area (Å)168.94
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 4 of 54   [TOP]
Compound IDNVIC0014
Compound Structure
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InhibitorA23187
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
PubChem ID 11957499
Drug Bank ID\N
ChemSpider ID10131749
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA)
Cell TypeVero cells
IC50 (nM)70.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)523.63
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds7
LogP4.48
Topological Polar Surface Area (Å)126.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 5 of 54   [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 - 6 of 54   [TOP]
Compound IDNVIC0029
Compound Structure
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Inhibitor2-APB(2-Aminoethyl Diphenylborinate)
SMILESB(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
PubChem ID 1598
Drug Bank ID\N
ChemSpider ID1540
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)133310.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)225.10
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds5
LogP4.45
Topological Polar Surface Area (Å)35.25
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 7 of 54   [TOP]
Compound IDNVIC0031
Compound Structure
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InhibitorAmiloride
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
PubChem ID 16231
Drug Bank ID\N
ChemSpider ID15403
TargetInhibitor of sodium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)656470.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)229.63
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bonds2
LogP-1.10
Topological Polar Surface Area (Å)159.29
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 8 of 54   [TOP]
Compound IDNVIC0032
Compound Structure
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InhibitorCA1001[(-)-(r,r)-N,N?-bis[11-(ethoxycarbonyl)undecyl]-n,n?-4,5-tetramethyl-3,6-dioxaoctanediamide]
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
PubChem ID 163688476
Drug Bank ID\N
ChemSpider ID2343275
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)348990.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)684.99
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bonds37
LogP8.92
Topological Polar Surface Area (Å)111.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 9 of 54   [TOP]
Compound IDNVIC0034
Compound Structure
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InhibitorAB00991123
SMILESC1CC(=CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=NN=N4
PubChem ID 17483530
Drug Bank ID\N
ChemSpider ID17026724
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3900.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)353.40
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bonds4
LogP4.37
Topological Polar Surface Area (Å)97.63
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 10 of 54   [TOP]
Compound IDNVIC0035
Compound Structure
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InhibitorPhenytoin
SMILESC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
PubChem ID 1775
Drug Bank ID\N
ChemSpider ID1710
TargetNon-selective inhibitor of sodium, sodium/hydrogen transporter and calcium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)51580.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)252.27
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bonds2
LogP4.71
Topological Polar Surface Area (Å)58.20
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 11 of 54   [TOP]
Compound IDNVIC0037
Compound Structure
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Inhibitor5-N-ethyl isopropyl amiloride
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
PubChem ID 1795
Drug Bank ID\N
ChemSpider ID1729
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)5960.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)299.76
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds5
LogP0.76
Topological Polar Surface Area (Å)136.51
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 12 of 54   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorBHQ(2,5-di-(t-butyl)-1,4-hydroquinone)
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
PubChem ID 2374
Drug Bank ID\N
ChemSpider ID2283
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)12210.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)222.33
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bonds2
LogP4.46
Topological Polar Surface Area (Å)40.46
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 13 of 54   [TOP]
Compound IDNVIC0051
Compound Structure
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InhibitorCaffeine
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
PubChem ID 2519
Drug Bank ID\N
ChemSpider ID2424
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)7562710.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)194.19
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds0
LogP-0.60
Topological Polar Surface Area (Å)58.44
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 14 of 54   [TOP]
Compound IDNVIC0052
Compound Structure
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InhibitorVerapamil
SMILESCC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
PubChem ID 2520
Drug Bank ID\N
ChemSpider ID2425
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)21660.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)454.61
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds13
LogP4.71
Topological Polar Surface Area (Å)63.95
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 15 of 54   [TOP]
Compound IDNVIC0053
Compound Structure
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InhibitorAB00993210
SMILESCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CS3
PubChem ID 25672978
Drug Bank ID\N
ChemSpider ID22443136
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)7800.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)372.48
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bonds4
LogP1.71
Topological Polar Surface Area (Å)119.76
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 16 of 54   [TOP]
Compound IDNVIC0054
Compound Structure
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InhibitorChloroquine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID2618
Targetfusion glycoprotein (NiV-F)
Assay TypeHTS immunolabeling assay
Assay DescriptionMulticycle replication assay
Assay Source\N
Cell TypeVero cells
IC50 (nM)2500.0
EC50 (in nM)0.0
OutcomeReduced the virus titer
Molecular Weight (in g/mol)319.88
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP4.14
Topological Polar Surface Area (Å)28.16
PUBMED ID19264786
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 17 of 54   [TOP]
Compound IDNVIC0056
Compound Structure
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InhibitorPMA(Phorbol 12-myristate 13-acetate)
SMILESCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
PubChem ID 27924
Drug Bank ID\N
ChemSpider ID25977
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)372120.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)616.83
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds17
LogP6.51
Topological Polar Surface Area (Å)130.36
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 18 of 54   [TOP]
Compound IDNVIC0057
Compound Structure
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InhibitorClotrimazole
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
PubChem ID 2812
Drug Bank ID\N
ChemSpider ID2710
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)3470.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)344.84
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bonds4
LogP8.55
Topological Polar Surface Area (Å)17.82
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 19 of 54   [TOP]
Compound IDNVIC0059
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,7-dicarboxylic Acid
SMILESC1=CC2=C(C=C1C(=O)O)NC=C(C2=O)C(=O)O
PubChem ID 328523
Drug Bank ID\N
ChemSpider ID290967
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Source\N
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)8000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)233.18
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds2
LogP1.46
Topological Polar Surface Area (Å)103.70
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDkanikatuteja@gmail.com

                  
Record - 20 of 54   [TOP]
Compound IDNVIC0061
Compound Structure
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InhibitorGabapentin
SMILESC1CCC(CC1)(CC(=O)O)CN
PubChem ID 3446
Drug Bank ID\N
ChemSpider ID3328
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)538700.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)171.24
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bonds3
LogP1.39
Topological Polar Surface Area (Å)63.32
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 21 of 54   [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 - 22 of 54   [TOP]
Compound IDNVIC0065
Compound Structure
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InhibitorRibavirin
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID34439
TargetReplication
Assay TypeHTS immunolabeling assay
Assay DescriptionHRP-chemiluminescent
Assay Source\N
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3356.0
OutcomeVirus inhibition
Molecular Weight (in g/mol)244.21
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-3.00
Topological Polar Surface Area (Å)143.72
PUBMED ID18313148
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 23 of 54   [TOP]
Compound IDNVIC0065
Compound Structure
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InhibitorRibavirin
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID34439
TargetReplication
Assay TypeHTS immunolabeling assay
Assay DescriptionFluorescent immunodetection
Assay Source\N
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)6041.0
OutcomeVirus inhibition
Molecular Weight (in g/mol)244.21
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-3.00
Topological Polar Surface Area (Å)143.72
PUBMED ID18313148
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 24 of 54   [TOP]
Compound IDNVIC0070
Compound Structure
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InhibitorBradykinin
SMILESC1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
PubChem ID 439201
Drug Bank ID\N
ChemSpider ID388341
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)34070.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)1060.23
H-bond Acceptor26
H-bond Donor14
No. of Rotatable Bonds37
LogP0.10
Topological Polar Surface Area (Å)413.78
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 25 of 54   [TOP]
Compound IDNVIC0072
Compound Structure
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InhibitorMonensin
SMILESCCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
PubChem ID 441145
Drug Bank ID\N
ChemSpider ID389937
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12240.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)670.88
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bonds10
LogP3.36
Topological Polar Surface Area (Å)153.37
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 26 of 54   [TOP]
Compound IDNVIC0073
Compound Structure
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InhibitorN-(Cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-1,4- N-(4-Chlorobenzyl)-1-ethyl-4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxamide
SMILESCCN1C=C(C(=O)C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)Cl
PubChem ID 44190928
Drug Bank ID\N
ChemSpider ID24618766
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Source\N
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)8000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)408.81
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bonds6
LogP6.18
Topological Polar Surface Area (Å)49.41
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDkanikatuteja@gmail.com

                  
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Compound IDNVIC0074
Compound Structure
DOWNLOAD:
Inhibitor7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide
SMILESC1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)C(=O)N)F)C(=O)NCC5=C(C=C(C=C5)Cl)Cl
PubChem ID 44191023
Drug Bank ID\N
ChemSpider ID24623404
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)1500.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)531.41
H-bond Acceptor10
H-bond Donor2
No. of Rotatable Bonds7
LogP4.02
Topological Polar Surface Area (Å)95.74
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
Record - 28 of 54   [TOP]
Compound IDNVIC0075
Compound Structure
DOWNLOAD:
InhibitorEthyl 1-[3-(2,4-Dichlorobenzylcarbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-7-yl]piperidine-4-carboxylate
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
PubChem ID 44191024
Drug Bank ID\N
ChemSpider ID24624033
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)548.44
H-bond Acceptor10
H-bond Donor1
No. of Rotatable Bonds9
LogP5.38
Topological Polar Surface Area (Å)78.95
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
Record - 29 of 54   [TOP]
Compound IDNVIC0076
Compound Structure
DOWNLOAD:
InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-7-yl)]piperazine-1-carboxylate
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
PubChem ID 44191025
Drug Bank ID\N
ChemSpider ID24627369
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)4000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)549.42
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bonds9
LogP4.74
Topological Polar Surface Area (Å)82.19
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
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Compound IDNVIC0077
Compound Structure
DOWNLOAD:
InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbamoyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-7-yl)]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F
PubChem ID 44191117
Drug Bank ID\N
ChemSpider ID24618777
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)561.44
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bonds9
LogP4.86
Topological Polar Surface Area (Å)82.19
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
Record - 31 of 54   [TOP]
Compound IDNVIC0079
Compound Structure
DOWNLOAD:
InhibitorOleic Acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O
PubChem ID 445639
Drug Bank ID\N
ChemSpider ID393217
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)1848200.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)282.47
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds15
LogP8.19
Topological Polar Surface Area (Å)37.30
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 32 of 54   [TOP]
Compound IDNVIC0080
Compound Structure
DOWNLOAD:
InhibitorThapsigargin
SMILESCCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
PubChem ID 446378
Drug Bank ID\N
ChemSpider ID23258517
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)50.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)650.76
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bonds17
LogP5.10
Topological Polar Surface Area (Å)171.96
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 33 of 54   [TOP]
Compound IDNVIC0083
Compound Structure
DOWNLOAD:
InhibitorNifedipine
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
PubChem ID 4485
Drug Bank ID\N
ChemSpider ID4330
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)245440.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)346.34
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds6
LogP3.91
Topological Polar Surface Area (Å)107.77
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 34 of 54   [TOP]
Compound IDNVIC0084
Compound Structure
DOWNLOAD:
Inhibitor4-OH-tamoxifen
SMILESCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
PubChem ID 449459
Drug Bank ID\N
ChemSpider ID4447687
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)7510.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)387.52
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP8.73
Topological Polar Surface Area (Å)32.70
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 35 of 54   [TOP]
Compound IDNVIC0087
Compound Structure
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Inhibitor7-octyl-indolactam
SMILESCCCCCCCCC1=C2CC(NC(=O)C(N(C3=CC=CC(=C23)N1)C)C(C)C)CO
PubChem ID 45934410
Drug Bank ID\N
ChemSpider ID57263232
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)306820.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)413.61
H-bond Acceptor5
H-bond Donor3
No. of Rotatable Bonds9
LogP5.62
Topological Polar Surface Area (Å)68.36
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 36 of 54   [TOP]
Compound IDNVIC0090
Compound Structure
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InhibitorPhenoxybenzamine
SMILESCC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
PubChem ID 4768
Drug Bank ID\N
ChemSpider ID4604
TargetCalmoudulin inhibitor
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)6860.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)303.83
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bonds8
LogP6.54
Topological Polar Surface Area (Å)12.47
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 37 of 54   [TOP]
Compound IDNVIC0091
Compound Structure
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InhibitorPraziquantel
SMILESC1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
PubChem ID 4891
Drug Bank ID\N
ChemSpider ID4722
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)33510.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)312.41
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bonds2
LogP3.65
Topological Polar Surface Area (Å)40.62
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 38 of 54   [TOP]
Compound IDNVIC0093
Compound Structure
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InhibitorPropranolol
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
PubChem ID 4946
Drug Bank ID\N
ChemSpider ID4777
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)3830.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)259.35
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bonds6
LogP4.05
Topological Polar Surface Area (Å)41.49
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 39 of 54   [TOP]
Compound IDNVIC0096
Compound Structure
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InhibitorCyclosporine
SMILESCCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
PubChem ID 5280754
Drug Bank ID\N
ChemSpider ID4447449
TargetSERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12640.0
EC50 (in nM)0.0
OutcomeRemoval of cytosolic calcium
Molecular Weight (in g/mol)1202.64
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bonds15
LogP8.40
Topological Polar Surface Area (Å)278.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 40 of 54   [TOP]
Compound IDNVIC0097
Compound Structure
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InhibitorCholecalciferol
SMILESCC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
PubChem ID 5280795
Drug Bank ID\N
ChemSpider ID4444353
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)55630.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)384.65
H-bond Acceptor1
H-bond Donor1
No. of Rotatable Bonds6
LogP9.89
Topological Polar Surface Area (Å)20.23
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 41 of 54   [TOP]
Compound IDNVIC0099
Compound Structure
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InhibitorRottlerin
SMILESCC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
PubChem ID 5281847
Drug Bank ID\N
ChemSpider ID4445144
TargetInhibits PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)19820.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)516.55
H-bond Acceptor8
H-bond Donor5
No. of Rotatable Bonds6
LogP5.12
Topological Polar Surface Area (Å)144.52
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 42 of 54   [TOP]
Compound IDNVIC0100
Compound Structure
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Inhibitor25-hydroxy-cholecalciferol
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
PubChem ID 5283731
Drug Bank ID\N
ChemSpider ID4446820
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)30860.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)400.65
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bonds6
LogP7.93
Topological Polar Surface Area (Å)40.46
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
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Compound IDNVIC0101
Compound Structure
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InhibitorXestospongin C
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
PubChem ID 5311502
Drug Bank ID\N
ChemSpider ID4470979
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)7010.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)446.72
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bonds0
LogP7.08
Topological Polar Surface Area (Å)24.94
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
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Compound IDNVIC0111
Compound Structure
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InhibitorAmlodipine besylate
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
PubChem ID 60496
Drug Bank ID\N
ChemSpider ID54537
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)643530.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)567.05
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds10
LogP3.24
Topological Polar Surface Area (Å)99.88
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 45 of 54   [TOP]
Compound IDNVIC0112
Compound Structure
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InhibitorMibefradil
SMILESCC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
PubChem ID 60663
Drug Bank ID\N
ChemSpider ID54673
TargetT-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)6110.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)495.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds12
LogP6.43
Topological Polar Surface Area (Å)67.45
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 46 of 54   [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)740.0
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 ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 47 of 54   [TOP]
Compound IDNVIC0114
Compound Structure
DOWNLOAD:
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

                  
Record - 48 of 54   [TOP]
Compound IDNVIC0115
Compound Structure
DOWNLOAD:
InhibitorArg-vasopressin
SMILESC1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
PubChem ID 644077
Drug Bank ID\N
ChemSpider ID559126
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)35270.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)1084.24
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bonds22
LogP-0.40
Topological Polar Surface Area (Å)514.53
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 49 of 54   [TOP]
Compound IDNVIC0116
Compound Structure
DOWNLOAD:
InhibitorLanthanum Chloride
SMILESCl[La](Cl)Cl
PubChem ID 64735
Drug Bank ID\N
ChemSpider ID58275
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)1030790.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)245.26
H-bond Acceptor0
H-bond Donor0
No. of Rotatable Bonds0
LogP2.07
Topological Polar Surface Area (Å)0.00
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 50 of 54   [TOP]
Compound IDNVIC0121
Compound Structure
DOWNLOAD:
InhibitorIonomycin
SMILESCC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O
PubChem ID 6912226
Drug Bank ID\N
ChemSpider ID5288579
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)5190.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)709.02
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bonds22
LogP7.69
Topological Polar Surface Area (Å)153.75
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 51 of 54   [TOP]
Compound IDNVIC0122
Compound Structure
DOWNLOAD:
InhibitorDantrolene
SMILESC1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
PubChem ID 6914273
Drug Bank ID\N
ChemSpider ID5036403
TargetInhibitor of ryanodine receptor mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12410.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)314.26
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds4
LogP2.89
Topological Polar Surface Area (Å)106.02
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 52 of 54   [TOP]
Compound IDNVIC0123
Compound Structure
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InhibitorTetrandine
SMILESCN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
PubChem ID 73078
Drug Bank ID\N
ChemSpider ID65868
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)654800.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)622.76
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bonds4
LogP6.09
Topological Polar Surface Area (Å)61.86
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 53 of 54   [TOP]
Compound IDNVIC0128
Compound Structure
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InhibitorAB00992391
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
PubChem ID 8189728
Drug Bank ID\N
ChemSpider ID6491411
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)11700.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)337.31
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds4
LogP2.78
Topological Polar Surface Area (Å)97.63
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 54 of 54   [TOP]
Compound IDNVIC0131
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,5-dicarboxylic Acid
SMILESC1=CC(=C2C(=C1)NC=C(C2=O)C(=O)O)C(=O)O
PubChem ID 91619677
Drug Bank ID\N
ChemSpider ID62941102
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Source\N
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)8000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)233.18
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds2
LogP1.46
Topological Polar Surface Area (Å)103.70
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDkanikatuteja@gmail.com