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Record - 1 of 2   [TOP]
Compound IDNVIC0090
Compound Structure
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InhibitorNADH
PubChem ID 439153
Drug Bank IDDB00157
ChemSpider ID 388299
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
Molecular Weight (in g/mol)665.441
TargetFatty aldehyde dehydrogenase 2
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeNutraceutical
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor18
H-bond Donor8
No. of Rotatable Bond Count11
XLogP-5.3
PSA337.24
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature] 28904190
Curatorkanikatuteja@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0090
Compound Structure
DOWNLOAD:
InhibitorNADH
PubChem ID 439153
Drug Bank IDDB00157
ChemSpider ID 388299
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
Molecular Weight (in g/mol)665.441
TargetNADH dehydrogenase iron-sulfur protein 2
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeNutraceutical
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor18
H-bond Donor8
No. of Rotatable Bond Count11
XLogP-5.3
PSA337.24
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature] 28904190
Curatorkanikatuteja@gmail.com