Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM2D947)

• Drug Name: Phosphoenolpyruvate Drug Info
• Synonyms: phosphoenolpyruvate; Phosphoenolpyruvic acid; 138-08-9; 2-(phosphonooxy)prop-2-enoic acid; Phosphopyruvic acid; 2-Propenoic acid, 2-(phosphonooxy)-; PEP; UNII-545YL308OW; 2-Phosphonooxyprop-2-enoic acid; 2-Dihydroxyphosphinoyloxyacrylic acid; CHEBI:44897; DTBNBXWJWCWCIK-UHFFFAOYSA-N; 545YL308OW; P-enol-pyruvate; Barium silver 2-(phosphonatooxy)acrylate; 2-phosphonooxyprop-2-enoate; 2-(phosphonooxy)-2-propenoic acid; 923-14-8; P-enolpyruvate; 1nhx; EINECS 213-089-8; EINECS 205-312-2; AC1L1AIQ; Phospho(enol)pyruvic acid; bmse000107

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 1005
  ChEBI ID: CHEMBL1235228
  CAS Number: CAS 138-08-9
  TTD Drug ID: DM2D947
  INTEDE Drug ID: DR2123

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-Phosphoglyceric Acid	DMX6GH5	Discovery agent	N.A.	Investigative	[2]
Ribose-5-Phosphate	DMRKO49	Discovery agent	N.A.	Investigative	[2]
Arabinose-5-Phosphate	DMAM619	Discovery agent	N.A.	Investigative	[2]
1-Deoxy-Ribofuranose-5'-Phosphate	DMH9WFD	Discovery agent	N.A.	Investigative	[2]
3-Fluoro-2-(Phosphonooxy)Propanoic Acid	DMTY92S	Discovery agent	N.A.	Investigative	[2]
Erythose-4-Phosphate	DMLT7FQ	Discovery agent	N.A.	Investigative	[2]
2-(Phosphonooxy)Butanoic Acid	DM4V2ZO	Discovery agent	N.A.	Investigative	[6]

Drug(s) Metabolized By Phosphoenolpyruvate carboxykinase (PCK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
oxalacetic acid	DMPZSV1	Discovery agent	N.A.	Investigative	[3]

Drug(s) Affected By Amyloid-beta precursor protein (APP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[7]
Selenium	DM25CGV	N. A.	N. A.	Approved	[8]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[9]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[10]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[11]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[12]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[14]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[15]
Aluminium	DM6ECN9	Hyperhidrosis	EE00	Approved	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA)	TTVNA43	KDSA_ECOLI	Inhibitor	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Phosphoenolpyruvate carboxykinase (PCK1)	DEPLH5Z	PCKGC_HUMAN	Substrate	[3]
Red cell/liver pyruvate kinase (PKLR)	DETH24K	KPYR_HUMAN	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Amyloid-beta precursor protein (APP)	OTKFD7R4	A4_HUMAN	Protein Interaction/Cellular Processes	[5]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4692).
• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Tyr235 of human cytosolic phosphoenolpyruvate carboxykinase influences catalysis through an anion-quadrupole interaction with phosphoenolpyruvate carboxylate. FEBS J. 2008 Dec;275(23):5810-9.
• [4] Energetic coupling between an oxidizable cysteine and the phosphorylatable N-terminus of human liver pyruvate kinase. Biochemistry. 2013 Jan 22;52(3):466-76.
• [5] High-energy compounds promote physiological processing of Alzheimer's amyloid- precursor protein and boost cell survival in culture. J Neurochem. 2012 Nov;123(4):525-31. doi: 10.1111/j.1471-4159.2012.07923.x. Epub 2012 Sep 21.
• [6] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [7] Microarray analysis of H2O2-, HNE-, or tBH-treated ARPE-19 cells. Free Radic Biol Med. 2002 Nov 15;33(10):1419-32.
• [8] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [9] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [10] Simvastatin protects neurons from cytotoxicity by up-regulating Bcl-2 mRNA and protein. J Neurochem. 2007 Apr;101(1):77-86. doi: 10.1111/j.1471-4159.2006.04375.x. Epub 2007 Jan 4.
• [11] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [12] Chelation and intercalation: complementary properties in a compound for the treatment of Alzheimer's disease. J Struct Biol. 2000 Jun;130(2-3):209-16. doi: 10.1006/jsbi.2000.4285.
• [13] Increased processing of APLP2 and APP with concomitant formation of APP intracellular domains in BDNF and retinoic acid-differentiated human neuroblastoma cells. J Neurochem. 2005 Nov;95(4):1059-68. doi: 10.1111/j.1471-4159.2005.03440.x. Epub 2005 Sep 7.
• [14] Comparison of base-line and chemical-induced transcriptomic responses in HepaRG and RPTEC/TERT1 cells using TempO-Seq. Arch Toxicol. 2018 Aug;92(8):2517-2531.
• [15] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [16] Synergistic effects of iron and aluminum on stress-related gene expression in primary human neural cells. J Alzheimers Dis. 2005 Nov;8(2):117-27; discussion 209-15. doi: 10.3233/jad-2005-8204.