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Compound IDNVIC0094
Compound Structure
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InhibitorDoxorubicin
PubChem ID   31703
Drug Bank IDDB00997
ChemSpider ID29400
SMILESCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
Molecular Weight543.5193 Da
TargetNDUS2 protein acted on N protein of NiV
Assay Type
Assay Description
Assay SourceApproved, investigational
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor12
H-bond Donor6
No. of Rotatable Bond Count5
XLogP-1.6
PSA206.07
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature]28904190
CuratorKanikatuteja@gmail.com