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Record - 1 of 3   [TOP]
Compound IDNVIC0054
Compound Structure
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InhibitorChloroquine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID2618
TargetCathepsin L
Assay TypeVirus titration in vivo
Assay DescriptionDaily clinical observations
Assay SourceSigma Aldrich, NSW, Australia
Cell TypeFerret model
IC50 (nM)0.0
EC50 (in nM)0.0
OutcomePreventing or moderating infection
Molecular Weight (in g/mol)319.88
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP4.14
Topological Polar Surface Area (Å)28.16
PUBMED ID19759137
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2772715/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0054
Compound Structure
DOWNLOAD:
InhibitorChloroquine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID2618
Targetfusion glycoprotein (NiV-F)
Assay TypeHTS immunolabeling assay
Assay DescriptionMulticycle replication assay
Assay Source\N
Cell TypeVero cells
IC50 (nM)2500.0
EC50 (in nM)0.0
OutcomeReduced the virus titer
Molecular Weight (in g/mol)319.88
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP4.14
Topological Polar Surface Area (Å)28.16
PUBMED ID19264786
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0054
Compound Structure
DOWNLOAD:
InhibitorChloroquine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID2618
TargetRNA replication
Assay TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceSigma
Cell TypeHeLa cells
IC50 (nM)620.0
EC50 (in nM)0.0
OutcomeReduce the spread and infection of NiV
Molecular Weight (in g/mol)319.88
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP4.14
Topological Polar Surface Area (Å)28.16
PUBMED ID19889926
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
Curator Email IDnishisharmacool14@gmail.com