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Record - 1 of 13   [TOP]
Compound IDNVIC0036
Compound Structure
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InhibitorQuinacrine dihydrochloride dihydrate
PubChem ID 2725002
Drug Bank ID
ChemSpider ID 2007115
SMILESCCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl.Cl
Molecular Weight (in g/mol)508.909
Target
Assay Type
Assay Description
Assay SourcePrestwick
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count9
XLogP5.12
PSA37.39
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 2 of 13   [TOP]
Compound IDNVIC0037
Compound Structure
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InhibitorClemastine
PubChem ID 23724780
Drug Bank ID
ChemSpider ID 58178872
SMILESCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O
Molecular Weight (in g/mol)459.967
Target
Assay Type
Assay Description
Assay SourceMicroSource Spectrum Collection
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bond Count6
XLogP6.5
PSA12.47
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 3 of 13   [TOP]
Compound IDNVIC0038
Compound Structure
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InhibitorCER0144654
PubChem ID 44762840
Drug Bank ID
ChemSpider ID 
SMILESCC(C(C)(C)C)NC(=O)C(=O)C1=CC=C(C=C1)C2CCCCC2
Molecular Weight (in g/mol)315.4
Target
Assay Type
Assay Description
Assay SourceCerep SA, Paris, France
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count6
XLogP6.81
PSA46.17
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 4 of 13   [TOP]
Compound IDNVIC0039
Compound Structure
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Inhibitor3229-0951
PubChem ID 136774454
Drug Bank ID
ChemSpider ID 11683895
SMILESOC1=CC=C(\C=N\NC2=NC(NC3=CC=CC=C3)=NC(=N2)N2CCOCC2)C=C1
Molecular Weight (in g/mol)391.4
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count7
XLogP4.02
PSA107.46
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 5 of 13   [TOP]
Compound IDNVIC0040
Compound Structure
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Inhibitor0848-0115
PubChem ID 753815
Drug Bank ID
ChemSpider ID 659227
SMILESC=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC=C3C(=O)O
Molecular Weight (in g/mol)349.3
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bond Count6
XLogP5.12
PSA92.70
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 6 of 13   [TOP]
Compound IDNVIC0041
Compound Structure
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Inhibitor1926-2281
PubChem IDNR
Drug Bank ID
ChemSpider ID 21538902
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor7
H-bond Donor3
No. of Rotatable Bond Count3
XLogP1.68
PSA156.24
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 7 of 13   [TOP]
Compound IDNVIC0042
Compound Structure
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Inhibitor1013-0406
PubChem IDNR
Drug Bank ID
ChemSpider ID 7917123
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bond Count6
XLogP4.23
PSA100.45
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 8 of 13   [TOP]
Compound IDNVIC0043
Compound Structure
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Inhibitor3229-0947
PubChem ID 5759988
Drug Bank ID
ChemSpider ID 7867644
SMILESO=C(Nc1ccc(cc1)/C(=N/Nc2nc(nc(n2)Nc3ccccc3)N4CCOCC4)C)C
Molecular Weight (in g/mol)446.5
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count8
XLogP4.72
PSA116.66
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 9 of 13   [TOP]
Compound IDNVIC0044
Compound Structure
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InhibitorCHLOROQUINE DIPHOSPHATE
PubChem ID 64927
Drug Bank ID
ChemSpider ID 58455
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
Molecular Weight (in g/mol)515.9
Target
Assay Type
Assay Description
Assay SourceMP Biomedicals
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP4.14
PSA28.16
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 10 of 13   [TOP]
Compound IDNVIC0045
Compound Structure
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Inhibitor1611-4804
PubChem ID 16410189
Drug Bank ID
ChemSpider ID 13001733
SMILESCCOC(=O)C1=C(N=c2n(c(=O)/c(=C\c3cc(ccc3OC(=O)C)Br)/s2)C1c4ccccc4)C
Molecular Weight (in g/mol)541.4
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count7
XLogP6.1
PSA110.57
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 11 of 13   [TOP]
Compound IDNVIC0046
Compound Structure
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Inhibitor1593-0009
PubChem ID 136919850
Drug Bank ID
ChemSpider ID 17741464
SMILESCOC1=C(C=CC(=C1)C=NNC2=CC(=NC(=N2)N3CCOCC3)N4CCOCC4)O
Molecular Weight (in g/mol)414.5
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor7
H-bond Donor2
No. of Rotatable Bond Count6
XLogP1.99
PSA104.57
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 12 of 13   [TOP]
Compound IDNVIC0047
Compound Structure
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Inhibitor9290-0114
PubChem ID 137836152
Drug Bank ID
ChemSpider ID 4689986
SMILESCOC1=C(C=C(C=C1)C=C2C(=O)NC(=N)S2)O
Molecular Weight (in g/mol)250.3
Target
Assay Type
Assay Description
Assay SourceChemDiv Inc., San Diego, CA
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.19
PSA107.71
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com

                  
Record - 13 of 13   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorChloroquine
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight (in g/mol)319.877
TargetF protein
Assay TypeHigh throughput screening assay
Assay DescriptionMulticycle replication assay
Assay Source
Cell TypeVero cell
OutcomeReduced the virus titer
IC50 (in nM)2000
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP4.14
PSA28.16
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatorkanikatuteja@gmail.com