Details of the Drug

General Information of Drug (ID: DMO071E)

• Drug Name: Gluconolactone
• Synonyms: gluconolactone; delta-gluconolactone; 90-80-2; D-glucono-1,5-lactone; D-Gluconolactone; 1,5-Gluconolactone; D-Gluconic acid lactone; Glucono delta-lactone; Gluconic acid lactone; 1,5-D-Gluconolactone; Gluconic lactone; Glucono delta lactone; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one; Gluconic delta-lactone; D-Gluconic acid delta-lactone; d-(+)-Glucono-1,5-lactone; D-delta-Gluconolactone; delta-D-Gluconolactone; Deltagluconolactone; D-Gluconic delta-lactone; Glucarolactone; D-Aldonolactone

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 178.14
  Logarithm of the Partition Coefficient (xlogp); -2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C6H10O6
  IUPAC Name: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
  InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
  InChIKey: PHOQVHQSTUBQQK-SQOUGZDYSA-N
• Cross-matching ID:
  PubChem CID: 7027
  ChEBI ID: CHEBI:16217
  CAS Number: 90-80-2
  DrugBank ID: DB04564
  TTD ID: D04QWD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lactase-phlorizin hydrolase (LCT)	TTA0OSE	LPH_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.