× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources Contact Us
logo
                  
Record - 1 of 56   [TOP]
Compound IDNVIC0002
Compound Structure
DOWNLOAD:
InhibitorGS-5734
PubChem ID 121304016
Drug Bank ID
ChemSpider ID 58827832
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C6
Molecular Weight602.585 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay (VTR)
Assay DescriptionNon-linear regression fitting
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeVero cells
OutcomeInhibition of replication in NiV (M-1999)
IC50 (in nM)
EC50 (in nM)47
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count14
XLogP2.10
PSA213.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com

                  
Record - 2 of 56   [TOP]
Compound IDNVIC0002
Compound Structure
DOWNLOAD:
InhibitorGS-5734
PubChem ID 121304016
Drug Bank ID
ChemSpider ID 58827832
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C7
Molecular Weight602.585 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay (VTR)/ cytopathic effect assay(CPE)
Assay DescriptionNon-linear regression fitting
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeVero cells
OutcomeInhibition of replication in NiV (B-2004)
IC50 (in nM)
EC50 (in nM)32
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count14
XLogP2.10
PSA213.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com

                  
Record - 3 of 56   [TOP]
Compound IDNVIC0006
Compound Structure
DOWNLOAD:
InhibitorEthyl 1-[3-(2,4-Dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191024
Drug Bank ID
ChemSpider ID 24624033
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
Molecular Weight548.436 g/mol
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay SourceHttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor10
H-bond Donor1
No. of Rotatable Bond Count9
XLogP5.38
PSA78.95
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorAnshu@imtech.res.in

                  
Record - 4 of 56   [TOP]
Compound IDNVIC0007
Compound Structure
DOWNLOAD:
InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbam
PubChem ID 44191117
Drug Bank ID
ChemSpider ID 24618777
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
Molecular Weight561.435 g/mol
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay SourceHttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.86
PSA82.19
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorAnshu@imtech.res.in

                  
Record - 5 of 56   [TOP]
Compound IDNVIC0008
Compound Structure
DOWNLOAD:
Inhibitor7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4
PubChem ID 44191023
Drug Bank ID
ChemSpider ID 24623404
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
Molecular Weight531.409 g/mol
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay SourceHttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)1500
H-bond Acceptor10
H-bond Donor2
No. of Rotatable Bond Count7
XLogP4.02
PSA95.74
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorAnshu@imtech.res.in

                  
Record - 6 of 56   [TOP]
Compound IDNVIC0009
Compound Structure
DOWNLOAD:
InhibitorN-(Cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-1,4-
PubChem ID 44190928
Drug Bank ID
ChemSpider ID 24618766
SMILESCCN1C=C(C(=O)C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)Cl
Molecular Weight408.805 g/mol
TargetProtein cavity in the NiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)>8000
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bond Count6
XLogP6.18
PSA49.41
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorKanikatuteja@gmail.com

                  
Record - 7 of 56   [TOP]
Compound IDNVIC0010.1
Compound Structure
DOWNLOAD:
Inhibitor4-oxo-1,4-Dihydroquinoline-3,5-dicarboxylic Acid
PubChem ID 91619677
Drug Bank ID
ChemSpider ID 62941102
SMILESC1=CC(=C2C(=C1)NC=C(C2=O)C(=O)O)C(=O)O
Molecular Weight233.179 g/mol for both
TargetProtein cavity in the NiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay Source
Cell TypeVero cells
OutcomeCell?Cell Fusion Inhibiting Activity Determined in NiV-G/F
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorKanikatuteja@gmail.com

                  
Record - 8 of 56   [TOP]
Compound IDNVIC0010.2
Compound Structure
DOWNLOAD:
Inhibitor4-oxo-1,4-Dihydroquinoline-3,7-dicarboxylic Acid (
PubChem ID 328523
Drug Bank ID
ChemSpider ID 290967
SMILES C1=CC2=C(C=C1C(=O)O)NC=C(C2=O)C(=O)O
Molecular Weight233.179 g/mol for both
TargetProtein cavity in the NiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay Source
Cell TypeVero cells
OutcomeCell?Cell Fusion Inhibiting Activity Determined in NiV-G/F
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorKanikatuteja@gmail.com

                  
Record - 9 of 56   [TOP]
Compound IDNVIC0013
Compound Structure
DOWNLOAD:
InhibitorAB00991123
PubChem ID 17483530
Drug Bank ID
ChemSpider ID 17026724
SMILESC1ccc2c(c1)CCC(=C2)S(=O)(=O)Nc3ccc(cc3)n4cnnn4
Molecular Weight353.398 g/mol
TargetReplication
Assay TypeHTS assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibited the virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)3900
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count4
XLogP4.37
PSA97.63
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
CuratorKanikatuteja@gmail.com

                  
Record - 10 of 56   [TOP]
Compound IDNVIC0014
Compound Structure
DOWNLOAD:
InhibitorAB00992391
PubChem ID 8189728
Drug Bank ID
ChemSpider ID 6491411
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
Molecular Weight337.305 g/mol
TargetReplication
Assay TypeHTS assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibited the virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)11700
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count4
XLogP2.78
PSA97.63
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
CuratorKanikatuteja@gmail.com

                  
Record - 11 of 56   [TOP]
Compound IDNVIC0015
Compound Structure
DOWNLOAD:
InhibitorAB00993210
PubChem ID 25672978
Drug Bank ID
ChemSpider ID 22443136
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c3cccs3
Molecular Weight372.483 g/mol
TargetReplication
Assay TypeHTS assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibited the virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)7800
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count4
XLogP1.71
PSA119.76
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
CuratorKanikatuteja@gmail.com

                  
Record - 12 of 56   [TOP]
Compound IDNVIC0019
Compound Structure
DOWNLOAD:
InhibitorRibavirin
PubChem ID 37542
Drug Bank ID
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight244.207 g/mol
Target
Assay TypeBSL4 HTS assay
Assay DescriptionHRP-chemiluminescent
Assay Source
Cell TypeVero cells
Outcome
IC50 (in nM)3356
EC50 (in nM)3356
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3.0
PSA143.72
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
PubMed ID [Source Literature] 18313148
CuratorKanikatuteja@gmail.com

                  
Record - 13 of 56   [TOP]
Compound IDNVIC0019
Compound Structure
DOWNLOAD:
InhibitorRibavirin
PubChem ID 37542
Drug Bank ID
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight244.207 g/mol
Target
Assay TypeBSL2 HTS assay
Assay DescriptionFluorescent immunodetection
Assay Source
Cell TypeVero cells
Outcome
IC50 (in nM)6041
EC50 (in nM)6041
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3.0
PSA143.72
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
PubMed ID [Source Literature] 18313148
CuratorPriyankapaul008@gmail.com

                  
Record - 14 of 56   [TOP]
Compound IDNVIC0024
Compound Structure
DOWNLOAD:
InhibitorGliotoxin
PubChem ID 6223
Drug Bank ID
ChemSpider ID 5988
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
Molecular Weight326.385 g/mol
Target
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeEffectively inhibit both 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 - 15 of 56   [TOP]
Compound IDNVIC0024
Compound Structure
DOWNLOAD:
InhibitorGliotoxin
PubChem ID 6223
Drug Bank ID
ChemSpider ID 5988
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
Molecular Weight326.385 g/mol
TargetNot mentioned in paper
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomePotent inhibition of viral infectivity
IC50 (in nM)740
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/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 16 of 56   [TOP]
Compound IDNVIC0025
Compound Structure
DOWNLOAD:
InhibitorGentian Violet
PubChem ID 11057
Drug Bank ID
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.[Cl-]
Molecular Weight407.986 g/mol
Target
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeEffectively inhibit both 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 - 17 of 56   [TOP]
Compound IDNVIC0026
Compound Structure
DOWNLOAD:
InhibitorBrilliant Green
PubChem ID 12449
Drug Bank ID
ChemSpider ID 11942
SMILESCCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]
Molecular Weight482.639 g/mol
Target
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeEffectively inhibit both 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 - 18 of 56   [TOP]
Compound IDNVIC0029
Compound Structure
DOWNLOAD:
InhibitorA23187
PubChem ID 40486
Drug Bank ID
ChemSpider ID 10131749
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Molecular Weight523.63 g/mol
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeHighly effective inhibition of henipavirus replication in vitro
IC50 (in nM)70
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count7
XLogP4.48
PSA126.68
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 19 of 56   [TOP]
Compound IDNVIC0049
Compound Structure
DOWNLOAD:
Inhibitor2-APB
PubChem ID 1598
Drug Bank ID
ChemSpider ID 1540
SMILESB(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
Molecular Weight225.098 g/mol
TargetInhibitor of host IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited virus replication
IC50 (in nM)133310
EC50 (in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count5
XLogP4.45
PSA35.25
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 20 of 56   [TOP]
Compound IDNVIC0050
Compound Structure
DOWNLOAD:
InhibitorBHQ
PubChem ID 2374
Drug Bank ID
ChemSpider ID 2283
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
Molecular Weight222.328 g/mol
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
OutcomeInhibited virus replication
IC50 (in nM)12210
EC50 (in nM)
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bond Count2
XLogP4.46
PSA40.46
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 21 of 56   [TOP]
Compound IDNVIC0051
Compound Structure
DOWNLOAD:
InhibitorCA1001
PubChem ID 14009349
Drug Bank ID
ChemSpider ID 2416
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
Molecular Weight685 g/mol
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)348990
EC50 (in nM)
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bond Count37
XLogP8.92
PSA111.68
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 22 of 56   [TOP]
Compound IDNVIC0052
Compound Structure
DOWNLOAD:
InhibitorDantrolene
PubChem ID 6914273
Drug Bank ID
ChemSpider ID 5036403
SMILESC1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Molecular Weight314.257 g/mol
TargetInhibitor of ryanodine receptor mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)12410
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count4
XLogP2.89
PSA106.02
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 23 of 56   [TOP]
Compound IDNVIC0053
Compound Structure
DOWNLOAD:
InhibitorIonomycin
PubChem ID 6912226
Drug Bank ID
ChemSpider ID 5288579
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
Molecular Weight709.018 g/mol
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)5190
EC50 (in nM)
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bond Count22
XLogP7.69
PSA153.75
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 24 of 56   [TOP]
Compound IDNVIC0054
Compound Structure
DOWNLOAD:
InhibitorRyanodine
PubChem ID 11317883
Drug Bank ID
ChemSpider ID 16736002
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
Molecular Weight493.553 g/mol
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
OutcomeInhibition of henipavirus replication
IC50 (in nM)65710
EC50 (in nM)
H-bond Acceptor10
H-bond Donor7
No. of Rotatable Bond Count4
XLogP0.16
PSA168.94
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 25 of 56   [TOP]
Compound IDNVIC0055
Compound Structure
DOWNLOAD:
InhibitorThapsigargin
PubChem ID 446378
Drug Bank ID
ChemSpider ID 23258517
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
Molecular Weight650.762 g/mol
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
OutcomeHighly effective inhibition of henipavirus replication in vitro
IC50 (in nM)50
EC50 (in nM)
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bond Count17
XLogP5.10
PSA171.96
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 26 of 56   [TOP]
Compound IDNVIC0056
Compound Structure
DOWNLOAD:
InhibitorXestospongin C
PubChem ID 9846431
Drug Bank ID
ChemSpider ID 4470979
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
Molecular Weight446.72 g/mol
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
OutcomeInhibited virus replication
IC50 (in nM)7010
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count0
XLogP7.08
PSA24.94
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 27 of 56   [TOP]
Compound IDNVIC0057
Compound Structure
DOWNLOAD:
InhibitorAmlodipine besylate
PubChem ID 60496
Drug Bank ID
ChemSpider ID 54537
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
Molecular Weight567.05 g/mol
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)643530
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count10
XLogP3.24
PSA99.88
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 28 of 56   [TOP]
Compound IDNVIC0058
Compound Structure
DOWNLOAD:
InhibitorGabapentin
PubChem ID 3446
Drug Bank ID
ChemSpider ID 3328
SMILESC1CCC(CC1)(CC(=O)O)CN
Molecular Weight171.24 g/mol
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)538700
EC50 (in nM)
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bond Count3
XLogP1.39
PSA63.32
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 29 of 56   [TOP]
Compound IDNVIC0059
Compound Structure
DOWNLOAD:
InhibitorLanthanum Chloride
PubChem ID 64735
Drug Bank ID
ChemSpider ID 58275
SMILESCl[La](Cl)Cl
Molecular Weight245.255 g/mol
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)1030790
EC50 (in nM)
H-bond Acceptor
H-bond Donor
No. of Rotatable Bond Count0
XLogP
PSA0.00
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 30 of 56   [TOP]
Compound IDNVIC0060
Compound Structure
DOWNLOAD:
InhibitorMibefradil
PubChem ID 60663
Drug Bank ID
ChemSpider ID 54673
SMILESCC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
Molecular Weight495.639 g/mol
TargetT-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)6110
EC50 (in nM)
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count12
XLogP6.43
PSA67.45
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 31 of 56   [TOP]
Compound IDNVIC0061
Compound Structure
DOWNLOAD:
InhibitorNifedipine
PubChem ID 4485
Drug Bank ID
ChemSpider ID 4330
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Molecular Weight346.339 g/mol
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)245440
EC50 (in nM)
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count6
XLogP3.91
PSA107.77
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 32 of 56   [TOP]
Compound IDNVIC0062
Compound Structure
DOWNLOAD:
InhibitorPraziquantel
PubChem ID 4891
Drug Bank ID
ChemSpider ID 4722
SMILESC1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
Molecular Weight312.413 g/mol
TargetL-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)33510
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count2
XLogP3.65
PSA40.62
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 33 of 56   [TOP]
Compound IDNVIC0063
Compound Structure
DOWNLOAD:
InhibitorTetrandine
PubChem ID 73078
Drug Bank ID
ChemSpider ID 65868
SMILESCN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Molecular Weight622.762 g/mol
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)654800
EC50 (in nM)
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bond Count4
XLogP6.09
PSA61.86
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 34 of 56   [TOP]
Compound IDNVIC0064
Compound Structure
DOWNLOAD:
InhibitorVerapamil
PubChem ID 2520
Drug Bank ID
ChemSpider ID 2425
SMILESCC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
Molecular Weight454.611 g/mol
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)21660
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count13
XLogP4.71
PSA63.95
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 35 of 56   [TOP]
Compound IDNVIC0065
Compound Structure
DOWNLOAD:
Inhibitor5-N-ethyl isopropyl amiloride
PubChem ID 1795
Drug Bank ID
ChemSpider ID 1729
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
Molecular Weight299.763 g/mol
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)5960
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count5
XLogP0.76
PSA136.51
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 36 of 56   [TOP]
Compound IDNVIC0066
Compound Structure
DOWNLOAD:
InhibitorAmiloride
PubChem ID 16231
Drug Bank ID
ChemSpider ID 15403
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
Molecular Weight229.628 g/mol
TargetInhibitor of sodium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)656470
EC50 (in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-1.1
PSA159.29
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 37 of 56   [TOP]
Compound IDNVIC0067
Compound Structure
DOWNLOAD:
InhibitorBenzamil
PubChem ID 108107
Drug Bank ID
ChemSpider ID 97202
SMILESC1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
Molecular Weight319.753 g/mol
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)65040
EC50 (in nM)
H-bond Acceptor7
H-bond Donor5
No. of Rotatable Bond Count6
XLogP2.35
PSA142.80
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 38 of 56   [TOP]
Compound IDNVIC0068
Compound Structure
DOWNLOAD:
InhibitorMonensin
PubChem ID 441145
Drug Bank ID
ChemSpider ID 389937
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
Molecular Weight670.881 g/mol
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)12240
EC50 (in nM)
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bond Count10
XLogP3.36
PSA153.37
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 39 of 56   [TOP]
Compound IDNVIC0069
Compound Structure
DOWNLOAD:
InhibitorPhenytoin
PubChem ID 1775
Drug Bank ID
ChemSpider ID 1710
SMILESC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Molecular Weight252.273 g/mol
TargetNon-selective inhibitor of sodium, sodium/hydrogen transporter and calcium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)51580
EC50 (in nM)
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bond Count2
XLogP4.71
PSA58.20
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 40 of 56   [TOP]
Compound IDNVIC0070
Compound Structure
DOWNLOAD:
Inhibitor7-octyl-indolactam
PubChem ID 45934410
Drug Bank ID
ChemSpider ID 57263232
SMILESCCCCCCCCC1=C2CC(NC(=O)C(N(C3=CC=CC(=C23)N1)C)C(C)C)CO
Molecular Weight413.606 g/mol
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited virus replication
IC50 (in nM)306820
EC50 (in nM)
H-bond Acceptor5
H-bond Donor3
No. of Rotatable Bond Count9
XLogP5.62
PSA68.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 41 of 56   [TOP]
Compound IDNVIC0071
Compound Structure
DOWNLOAD:
InhibitorCyclosporine
PubChem ID 5280754
Drug Bank ID
ChemSpider ID 4447449
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
Molecular Weight1202.635 g/mol
TargetActivates of SERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomePotent inhibition of viral infectivity
IC50 (in nM)12640
EC50 (in nM)
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bond Count15
XLogP8.40
PSA278.80
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 42 of 56   [TOP]
Compound IDNVIC0072
Compound Structure
DOWNLOAD:
InhibitorOleic Acid
PubChem ID 445639
Drug Bank ID
ChemSpider ID 393217
SMILESCCCCCCCCC=CCCCCCCCC(=O)O
Molecular Weight282.468 g/mol
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeRole in viral infectivity (specific action is not mentioned in paper)
IC50 (in nM)1848200
EC50 (in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count15
XLogP8.19
PSA37.30
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 43 of 56   [TOP]
Compound IDNVIC0073
Compound Structure
DOWNLOAD:
InhibitorPhenoxybenzamine
PubChem ID 4768
Drug Bank ID
ChemSpider ID 4604
SMILESCC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
Molecular Weight303.83 g/mol
TargetCalmoudulin inhibitor
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeConsiderable inhibition of viral replication
IC50 (in nM)6860
EC50 (in nM)
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bond Count8
XLogP6.54
PSA12.47
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 44 of 56   [TOP]
Compound IDNVIC0074
Compound Structure
DOWNLOAD:
InhibitorPMA
PubChem ID 27924
Drug Bank ID
ChemSpider ID 25977
SMILESCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
Molecular Weight616.825 g/mol
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited virus replication
IC50 (in nM)372120
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count17
XLogP6.51
PSA130.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 45 of 56   [TOP]
Compound IDNVIC0075
Compound Structure
DOWNLOAD:
InhibitorRottlerin
PubChem ID 5281847
Drug Bank ID
ChemSpider ID 4445144
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
Molecular Weight516.546 g/mol
TargetInhibits PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeModerate inhibition of viral replication
IC50 (in nM)19820
EC50 (in nM)
H-bond Acceptor8
H-bond Donor5
No. of Rotatable Bond Count6
XLogP5.12
PSA144.52
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 46 of 56   [TOP]
Compound IDNVIC0076
Compound Structure
DOWNLOAD:
InhibitorU73122
PubChem ID 104794
Drug Bank ID
ChemSpider ID 94596
SMILESCC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
Molecular Weight464.65 g/mol
TargetInhibits PLC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
OutcomeModerate inhibition of viral replication
IC50 (in nM)36320
EC50 (in nM)
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bond Count9
XLogP6.17
PSA58.64
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 47 of 56   [TOP]
Compound IDNVIC0077
Compound Structure
DOWNLOAD:
Inhibitor25-hydroxycholecalciferol
PubChem ID 5283731
Drug Bank ID
ChemSpider ID 4446820
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight400.647 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)30860
EC50 (in nM)
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bond Count6
XLogP7.93
PSA40.46
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 48 of 56   [TOP]
Compound IDNVIC0078
Compound Structure
DOWNLOAD:
Inhibitor4-OH-tamoxifen
PubChem ID 449459
Drug Bank ID
ChemSpider ID 4447687
SMILESCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
Molecular Weight387.523 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)7510
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP8.73
PSA32.70
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 49 of 56   [TOP]
Compound IDNVIC0079
Compound Structure
DOWNLOAD:
InhibitorArg-vasopressin
PubChem ID 644077
Drug Bank ID
ChemSpider ID 559126
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
Molecular Weight1084.239 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)35270
EC50 (in nM)
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bond Count22
XLogP-0.4
PSA514.53
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 50 of 56   [TOP]
Compound IDNVIC0080
Compound Structure
DOWNLOAD:
InhibitorBradykinin
PubChem ID 439201
Drug Bank ID
ChemSpider ID 388341
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
Molecular Weight1060.228 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)34070
EC50 (in nM)
H-bond Acceptor26
H-bond Donor14
No. of Rotatable Bond Count37
XLogP0.10
PSA413.78
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 51 of 56   [TOP]
Compound IDNVIC0081
Compound Structure
DOWNLOAD:
InhibitorCaffeine
PubChem ID 2519
Drug Bank ID
ChemSpider ID 2424
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Molecular Weight194.194 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus,
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)7562710
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count0
XLogP-0.6
PSA58.44
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 52 of 56   [TOP]
Compound IDNVIC0082
Compound Structure
DOWNLOAD:
InhibitorCholecalciferol
PubChem ID 5280795
Drug Bank ID
ChemSpider ID 4444353
SMILESCC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight384.648 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus,
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)55630
EC50 (in nM)
H-bond Acceptor1
H-bond Donor1
No. of Rotatable Bond Count6
XLogP9.89
PSA20.23
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 53 of 56   [TOP]
Compound IDNVIC0083
Compound Structure
DOWNLOAD:
InhibitorClotrimazole
PubChem ID 2812
Drug Bank ID
ChemSpider ID 2710
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
Molecular Weight344.842 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus,
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)3470
EC50 (in nM)
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bond Count4
XLogP8.55
PSA17.82
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 54 of 56   [TOP]
Compound IDNVIC0084
Compound Structure
DOWNLOAD:
InhibitorPropranolol
PubChem ID 4946
Drug Bank ID
ChemSpider ID 4777
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
Molecular Weight259.349 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)3830
EC50 (in nM)
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bond Count6
XLogP4.05
PSA41.49
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com

                  
Record - 55 of 56   [TOP]
Compound IDNVIC0098
Compound Structure
DOWNLOAD:
InhibitorGS-441524-Nuc
PubChem ID 44468216
Drug Bank ID
ChemSpider ID 28499294
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
Molecular Weight291.267 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay (VTR)
Assay DescriptionCPE
Assay SourceNuc were synthesized at Gilead Sciences, Inc.
Cell TypeVero cells
OutcomeInhibition of replication in NiV (M-1999)
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-2.0
PSA149.92
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com

                  
Record - 56 of 56   [TOP]
Compound IDNVIC0098
Compound Structure
DOWNLOAD:
InhibitorGS-441524-Nuc
PubChem ID 44468216
Drug Bank ID
ChemSpider ID 28499294
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
Molecular Weight291.267 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay (VTR)
Assay DescriptionCPE
Assay SourceNuc were synthesized at Gilead Sciences, Inc.
Cell TypeVero cells
OutcomeInhibition of replication in NiV (B-2004)
IC50 (in nM)
EC50 (in nM)2200
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-2.0
PSA149.92
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com