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Record - 1 of 12   [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 - 2 of 12   [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 - 3 of 12   [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

                  
Record - 4 of 12   [TOP]
Compound IDNVIC0074
Compound Structure
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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 - 5 of 12   [TOP]
Compound IDNVIC0075
Compound Structure
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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 - 6 of 12   [TOP]
Compound IDNVIC0076
Compound Structure
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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

                  
Record - 7 of 12   [TOP]
Compound IDNVIC0077
Compound Structure
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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 - 8 of 12   [TOP]
Compound IDNVIC0125
Compound Structure
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Inhibitor7402683 (methyl-N-[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-N-cyanoglycinate)
SMILESCCNC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)(C)C
PubChem ID 755369
Drug Bank ID\N
ChemSpider ID660664
Targetfusion glycoprotein (NiV-F)
Assay TypeReporter assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
IC50 (nM)0.0
EC50 (in nM)0.0
OutcomeInhibited the entry of NiV-F0 virus
Molecular Weight (in g/mol)307.35
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds8
LogP1.63
Topological Polar Surface Area (Å)116.06
PUBMED ID24501399
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 9 of 12   [TOP]
Compound IDNVIC0129
Compound Structure
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Inhibitor5705213 {methyl-N-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-N-cyanoglycinate}
SMILESCC(C)NC1=NC(=NC(=N1)N(CC(=O)OC)C#N)NC(C)C
PubChem ID 826236
Drug Bank ID\N
ChemSpider ID721677
Targetfusion glycoprotein (NiV-F)
Assay TypeReporter assay
Assay DescriptionPseudovirus inhibition assay
Assay SourceChembridge Corporation (San Diego, CA)
Cell Type293FT cells
IC50 (nM)0.0
EC50 (in nM)0.0
OutcomeInhibited the entry of NiV-F0 virus
Molecular Weight (in g/mol)307.35
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds8
LogP1.67
Topological Polar Surface Area (Å)116.06
PUBMED ID24501399
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993759/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 10 of 12   [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

                  
Record - 11 of 12   [TOP]
Compound IDNVIC0135
Compound Structure
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InhibitorCARS0358
SMILES[H][C@]12N(CC3=CC=CC=C3)CC[C@@]11C(NC3=C1C=CC=C3)=C(CC2([H])C[C@@]1(CC)COC(C)(C)O1)C(=O)OC
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetfusion glycoprotein (NiV-F)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of fusion glycoprotein (Niv-F)
Molecular Weight (in g/mol)502.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds7
LogP5.46
Topological Polar Surface Area (Å)60.03
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 12 of 12   [TOP]
Compound IDNVIC0142
Compound Structure
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InhibitorRASE0125 (17-O-Acetyl-nortetraphyllicine)
SMILESC(C)(=O)OC1C2[C@H]3N4C/C(/C2CC4[C@@H]4NC=2C=CC=CC2[C@]41C3)=C/C
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetfusion glycoprotein (NiV-F)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of fusion glycoprotein (Niv-F)
Molecular Weight (in g/mol)336.43
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bonds2
LogP2.77
Topological Polar Surface Area (Å)41.57
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com