Details of the Drug

General Information of Drug (ID: DM25QXM)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
InChI
BGWGXPAPYGQALX-ARQDHWQXSA-N
InChIKey
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
Cross-matching ID
PubChem CID
440641
ChEBI ID
CHEBI:16084
INTEDE ID
DR2073

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
PFK/FBPase 3 (PFKFB3)
Main DME 		DEEY674 F263_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.