Drug Information

Drug General Information
Drug ID
D0C4VG
Former ID
DNC014410
Drug Name
4-phospho-D-erythronate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551221]
Formula
C4H9O8P
Canonical SMILES
C(C(C(C(=O)O)O)O)OP(=O)(O)O
InChI
1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1
InChIKey
ZCZXOHUILRHRQJ-PWNYCUMCSA-N
PubChem Compound ID
449304
Target and Pathway
Target(s) 6-phosphogluconate dehydrogenase, decarboxylating Target Info Inhibitor [551221]
BioCyc Pathway Pentose phosphate pathway
Pentose phosphate pathway (oxidative branch)
KEGG Pathway Pentose phosphate pathway
Glutathione metabolism
Metabolic pathways
Biosynthesis of antibiotics
Carbon metabolism
PANTHER Pathway Pentose phosphate pathway
PathWhiz Pathway Warburg Effect
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Metabolism of carbohydrates
Pentose Phosphate Pathway
References
Ref 551221Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorg Med Chem. 2010 Jul 15;18(14):5056-62. doi: 10.1016/j.bmc.2010.05.077. Epub 2010 Jun 9.
Ref 551221Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorg Med Chem. 2010 Jul 15;18(14):5056-62. doi: 10.1016/j.bmc.2010.05.077. Epub 2010 Jun 9.

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