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Compound IDNVIC0068
Compound Structure
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InhibitorNADH
SMILES1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
PubChem ID 439153
Drug Bank IDDB00157
ChemSpider ID388299
TargetFatty aldehyde dehydrogenase 2
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)665.44
H-bond Acceptor18
H-bond Donor8
No. of Rotatable Bonds11
LogP-5.30
Topological Polar Surface Area (Å)337.24
PUBMED ID28904190
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
Curator Email IDkanikatuteja@gmail.com