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Record - 1 of 4   [TOP]
Compound IDNVIC0005
Compound Structure
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InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191025
Drug Bank ID
ChemSpider ID 24627369
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
Molecular Weight (in g/mol)549.424
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
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)4000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.74
PSA82.19
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 2 of 4   [TOP]
Compound IDNVIC0006
Compound Structure
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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 Weight (in g/mol)548.436
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
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 - 3 of 4   [TOP]
Compound IDNVIC0007
Compound Structure
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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 Weight (in g/mol)561.435
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
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 - 4 of 4   [TOP]
Compound IDNVIC0008
Compound Structure
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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 Weight (in g/mol)531.409
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
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