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Compound IDNVIC0094
Compound Structure
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InhibitorDoxorubicin
PubChem ID 31703
Drug Bank IDDB00997
ChemSpider ID 29400
SMILESCC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
Molecular Weight (in g/mol)543.519
TargetNADH dehydrogenase iron-sulfur protein 2
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeApproved, investigational
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
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