Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2073)
Drug Name
Beta-fructose phosphate
Synonyms
Beta-D-Fructose 6-phosphate; SCHEMBL8056; ZINC4096690; 1mto; 6-O-phosphono-beta-D-fructofuranose; AC1L99OC; C05345; CHEBI:16084; CHEMBL604196; DTXSID90889361; F6P; WURCS=2.0/1,1,0/[ha122h-2b_2-5_6*OPO/3O/3=O]/1/; beta-D-Fructofuranose 6-phosphoric acid; beta-D-fructofuranose 6-(dihydrogen phosphate); {[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 260.14 Topological Polar Surface Area 157
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
440641
ChEBI ID
CHEBI:16084
Formula
C6H13O9P
Canonical SMILES
C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
InChI
1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKey
BGWGXPAPYGQALX-ARQDHWQXSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Beta-fructose phosphate M1 PDM007518
716
Reduction - Dephosphorylation of phosphate monoester 1 Human
Beta-fructose phosphate M2 PDM007519 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Beta-fructose phosphate M3 PDM007520 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Beta-fructose phosphate M4 PDM007521 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Beta-fructose phosphate M5 PDM007522 N. A. Conjugation - Sulfation of primary alcohol 1 Human
Beta-fructose phosphate M6 PDM007523 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Beta-fructose phosphate M7 PDM007524 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
PFK/FBPase 3 (PFKFB3) DME0515 Homo sapiens
F263_HUMAN
2.7.1.105
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
PFK/FBPase 3 (PFKFB3) DME0515 Km = 0.0064 microM
F263_HUMAN
[2]
References
1 Enzyme-to-enzyme channeling in the early steps of glycolysis in rat pancreatic islets. Endocrine. 2004 Jul;24(2):105-9.
2 The kinase activity of human brain 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase is regulated via inhibition by phosphoenolpyruvate. Arch Biochem Biophys. 2005 Jun 15;438(2):125-36.

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