× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources NVIK VirtualBox Contact Us
logo
                  
Record - 1 of 3   [TOP]
Compound IDNVIC0048
Compound Structure
DOWNLOAD:
InhibitorChloroquine
PubChem ID 2719
Drug Bank ID
ChemSpider ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight (in g/mol)319.877 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 ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight (in g/mol)319.877 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 ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight (in g/mol)319.877 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