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Compound IDNVIC0036
Compound Structure
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InhibitorQuinacrinedihydrochloridedihydrate
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 Da
Targetseveral stages of the henipavirus viral cycle
Assay Typemulticycle pseudotyped virus HTS assay
Assay Description
Assay SourceMicroSource Spectrum Collection
Cell Type
Outcome
IC50 (in nM)3080
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