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Record - 1 of 16   [TOP]
Compound IDNVIC0001
Compound Structure
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InhibitorOSU-03012
SMILESC1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F
PubChem ID 10027278
Drug Bank ID\N
ChemSpider ID8202849
TargetPDK-1
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceSelleck Chemicals (Houston, TX, USA)
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)400.0
OutcomeReplication inhibited in NiV-Luc
Molecular Weight (in g/mol)460.46
H-bond Acceptor7
H-bond Donor2
No. of Rotatable Bonds6
LogP8.90
Topological Polar Surface Area (Å)72.42
PUBMED ID25986249
Referencehttps://www.sciencedirect.com/science/article/pii/S0166354215001126?via%3Dihub
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 16   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorGS-5734
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
PubChem ID 121304016
Drug Bank IDDB14761
ChemSpider ID58827832
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)45.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
Molecular Weight (in g/mol)602.59
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bonds14
LogP2.10
Topological Polar Surface Area (Å)213.36
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDanshu@imtech.res.in

                  
Record - 3 of 16   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorGS-5734
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
PubChem ID 121304016
Drug Bank IDDB14761
ChemSpider ID58827832
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)29.0
OutcomeInhibition of transcription in NiV (Rec. M-GFP2AM)
Molecular Weight (in g/mol)602.59
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bonds14
LogP2.10
Topological Polar Surface Area (Å)213.36
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 4 of 16   [TOP]
Compound IDNVIC0017
Compound Structure
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InhibitorPyrazofurin
SMILESC(C1C(C(C(O1)C2=NNC(=C2O)C(=O)N)O)O)O
PubChem ID 135413551
Drug Bank ID\N
ChemSpider ID10570780
TargetOrotidine 5?-monophosphate decarboxylase
Assay TypeReporter assay
Assay Description\N
Assay SourceToronto Research Chemicals
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)432.0
OutcomeInhibition cellular of Pyrimidine biosynthesis
Molecular Weight (in g/mol)259.22
H-bond Acceptor8
H-bond Donor6
No. of Rotatable Bonds3
LogP-1.60
Topological Polar Surface Area (Å)161.92
PUBMED ID24680955
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 5 of 16   [TOP]
Compound IDNVIC0017
Compound Structure
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InhibitorPyrazofurin
SMILESC(C1C(C(C(O1)C2=NNC(=C2O)C(=O)N)O)O)O
PubChem ID 135413551
Drug Bank ID\N
ChemSpider ID10570780
TargetOrotidine 5?-monophosphate decarboxylase
Assay TypeReporter assay
Assay Description\N
Assay SourceToronto Research Chemicals
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)281.0
OutcomeInhibition cellular of Pyrimidine biosynthesis
Molecular Weight (in g/mol)259.22
H-bond Acceptor8
H-bond Donor6
No. of Rotatable Bonds3
LogP-1.60
Topological Polar Surface Area (Å)161.92
PUBMED ID24680955
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 6 of 16   [TOP]
Compound IDNVIC0067
Compound Structure
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Inhibitor09167(2,2,2-trifluoro-N-[3-(N-naphthylcarbamoyl)(4,5,6,7-tetrahydrobenzo [beta]thiophen-2-yl)]acetamide)
SMILESC1CCC2=C(C1)C(=C(S2)NC(=O)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43
PubChem ID 4293368
Drug Bank ID\N
ChemSpider ID3499535
TargetReplication
Assay TypeReporter assay
Assay Description\N
Assay SourceVitas-M Laboratory
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)72.3
OutcomeAblated NiV-LUC2AM activity
Molecular Weight (in g/mol)418.43
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds6
LogP6.53
Topological Polar Surface Area (Å)86.44
PUBMED ID24680955
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 7 of 16   [TOP]
Compound IDNVIC0067
Compound Structure
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Inhibitor09167(2,2,2-trifluoro-N-[3-(N-naphthylcarbamoyl)(4,5,6,7-tetrahydrobenzo [beta]thiophen-2-yl)]acetamide)
SMILESC1CCC2=C(C1)C(=C(S2)NC(=O)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43
PubChem ID 4293368
Drug Bank ID\N
ChemSpider ID3499535
TargetReplication
Assay TypeReporter assay
Assay Description\N
Assay SourceVitas-M Laboratory
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)254.0
OutcomeAblated NiV-GFP2AM avtivity
Molecular Weight (in g/mol)418.43
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds6
LogP6.53
Topological Polar Surface Area (Å)86.44
PUBMED ID24680955
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 8 of 16   [TOP]
Compound IDNVIC0067
Compound Structure
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Inhibitor09167(2,2,2-trifluoro-N-[3-(N-naphthylcarbamoyl)(4,5,6,7-tetrahydrobenzo [beta]thiophen-2-yl)]acetamide)
SMILESC1CCC2=C(C1)C(=C(S2)NC(=O)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43
PubChem ID 4293368
Drug Bank ID\N
ChemSpider ID3499535
TargetReplication
Assay TypeReporter assay
Assay Description\N
Assay SourceVitas-M Laboratory
Cell TypeHEK 293T cells
IC50 (nM)0.0
EC50 (in nM)28.9
OutcomeAblated NiV-MY-99 activity
Molecular Weight (in g/mol)418.43
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds6
LogP6.53
Topological Polar Surface Area (Å)86.44
PUBMED ID24680955
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 9 of 16   [TOP]
Compound IDNVIC0078
Compound Structure
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InhibitorGS-441524 (Nuc)
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
PubChem ID 44468216
Drug Bank IDDB15686
ChemSpider ID28499294
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)1500.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
Molecular Weight (in g/mol)291.27
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bonds2
LogP-2.00
Topological Polar Surface Area (Å)149.92
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 10 of 16   [TOP]
Compound IDNVIC0078
Compound Structure
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InhibitorGS-441524 (Nuc)
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
PubChem ID 44468216
Drug Bank IDDB15686
ChemSpider ID28499294
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)2200.0
OutcomeInhibition of transcription in NiV (Rec. M-GFP2AM)
Molecular Weight (in g/mol)291.27
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bonds2
LogP-2.00
Topological Polar Surface Area (Å)149.92
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 11 of 16   [TOP]
Compound IDNVIC0086
Compound Structure
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InhibitorR1479
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
PubChem ID 457388
Drug Bank ID\N
ChemSpider ID402579
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)1120.0
OutcomeInhibition of transcription in NiV-Luc2AM
Molecular Weight (in g/mol)284.23
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-2.10
Topological Polar Surface Area (Å)140.97
PUBMED ID28629988
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
Curator Email IDanshu@imtech.res.in

                  
Record - 12 of 16   [TOP]
Compound IDNVIC0086
Compound Structure
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InhibitorR1479
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
PubChem ID 457388
Drug Bank ID\N
ChemSpider ID402579
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)5680.0
OutcomeInhibition of transcription in NiV-Luc2AM
Molecular Weight (in g/mol)284.23
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-2.10
Topological Polar Surface Area (Å)140.97
PUBMED ID28629988
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 13 of 16   [TOP]
Compound IDNVIC0086
Compound Structure
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InhibitorR1479
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
PubChem ID 457388
Drug Bank ID\N
ChemSpider ID402579
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)1640.0
OutcomeInhibition of transcription in NiV-GFP2AM
Molecular Weight (in g/mol)284.23
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-2.10
Topological Polar Surface Area (Å)140.97
PUBMED ID28629988
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 14 of 16   [TOP]
Compound IDNVIC0106
Compound Structure
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InhibitorGS-441524
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N
PubChem ID 56832906
Drug Bank ID\N
ChemSpider ID28499861
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)490.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
Molecular Weight (in g/mol)531.20
H-bond Acceptor10
H-bond Donor3
No. of Rotatable Bonds8
LogP-6.10
Topological Polar Surface Area (Å)330.26
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDanshu@imtech.res.in

                  
Record - 15 of 16   [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 - 16 of 16   [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