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Record - 1 of 5   [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 - 2 of 5   [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 - 3 of 5   [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 - 4 of 5   [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 - 5 of 5   [TOP]
Compound IDNVIC0067
Compound Structure
DOWNLOAD:
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