Details of the Drug

General Information of Drug (ID: DMU5SAF)

Drug Name
Fructose-6-Phosphate
Synonyms
Fructose 6-Phosphate; D-fructose-6-phosphate; fructose-6P; fructose-6-P; D-fructose-6-P; FRUCTOSE -6-PHOSPHATE; fru-6-P; UNII-2012QM764Y; 2012QM764Y; 6814-87-5; keto-D-fructose 6-phosphate; F6R; D-fructose-6P; D-Fructose 6-phosphorate; 6-O-phosphono-D-fructose; Fructose 6-phosphoric acid; SCHEMBL8230; AC1Q28E6; AC1L2C15; CTK5C7413; CHEBI:15946; GSXOAOHZAIYLCY-HSUXUTPPSA-N; Fructose 6-(dihydrogen phosphate); Fructose, 6-(dihydrogen phosphate); EINECS 211-395-6; d-fructose-6-phosphate (open form); ZINC85994845; DB04493; AJ-127870
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
Canonical SMILES
C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
InChIKey
GSXOAOHZAIYLCY-HSUXUTPPSA-N
Cross-matching ID
PubChem CID
69507
ChEBI ID
CHEMBL15946
CAS Number
643-13-0
UNII
2012QM764Y
DrugBank ID
DB04493
TTD ID
D0H3IJ
INTEDE ID
DR2145
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fructose-1,6-bisphosphatase (FBP) TTWHDVK F16P1_HUMAN ; F16P2_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
ATP-dependent 6-phosphofructokinase (pfkA)
Main DME 		DEUZYD1 PFKA_LACDE Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Purification and properties of the phosphofructokinase from Lactobacillus bulgaricus. A non-allosteric analog of the enzyme from Escherichia coli. Eur J Biochem. 1991 Jun 15;198(3):683-7.