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Record - 1 of 7   [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 - 2 of 7   [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 - 3 of 7   [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 - 4 of 7   [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 - 5 of 7   [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 - 6 of 7   [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 - 7 of 7   [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