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Record - 1 of 3   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorChloroquine
PubChem ID   2719
Drug Bank ID
ChemSpider ID2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight319.877 g/mol
TargetCathepsin L
Assay TypeMulticycle pseudotyped virus HTS assay
Assay Description
Assay Source
Cell Type
OutcomeReduced the amount of infectious virus released
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

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0048
Compound Structure
DOWNLOAD:
InhibitorChloroquine
PubChem ID   2719
Drug Bank ID
ChemSpider ID2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight319.877 g/mol
Target
Assay TypeDose–response assays
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeHeLa
OutcomeEffectively reduce the spread and infection of NiV
IC50 (in nM)620
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/PMC2888097/
PubMed ID [Source Literature]19889926
CuratorNishisharmacool14@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0048
Compound Structure
DOWNLOAD:
InhibitorChloroquine
PubChem ID   2719
Drug Bank ID
ChemSpider ID2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight319.877 g/mol
Target
Assay Type
Assay Description
Assay Source
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/PMC2772715/
PubMed ID [Source Literature]19759137
CuratorKanikatuteja@gmail.com