Details of the Drug

General Information of Drug (ID: DMIAQX4)

• Drug Name: Heptulose-2-Phosphate
• Synonyms: Heptulose-2-Phosphate; 6gpb; H2P; Heptulose-2-P; 1-Deoxygluco-heptulose 2-phosphate; Heptulose 2-phosphate; AC1Q6S5N; AC1L3Z5G; SCHEMBL4312544; 1-deoxy-2-o-phosphono-; A-d-gluco-hept-2-ulopyranose; 1-Deoxy-D-gluco-heptulose 2-phosphate; DB04195; 92642-58-5; 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose; alpha-D-gluco-2-Heptulopyranose, 1-deoxy-, 2-(dihydrogen phosphate); [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 274.16
  Logarithm of the Partition Coefficient (xlogp); -3.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C7H15O9P
  IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate
  Canonical SMILES: C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O
  InChI: InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1
  InChIKey: QZBAZODTRUGOQS-XUUWZHRGSA-N
• Cross-matching ID:
  PubChem CID: 124823
  CAS Number: 92642-58-5
  DrugBank ID: DB04195
  TTD ID: D0T9CW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen phosphorylase muscle form (GP)	DTT	PYGM	2.69E-01	-0.23	-0.14

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.