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]
Structure		Download 2D MOL 3D MOL
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 551221	Virtual 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 551221	Virtual 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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