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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

178.14

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3	2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease. Bioorg Med Chem. 2010 Jun 1;18(11):3790-4.
4	New polyhydroxylated pyrrolidine, piperidine, and pyrrolizidine alkaloids from Scilla sibirica. J Nat Prod. 2002 Dec;65(12):1875-81.
5	Nitrogen-containing furanose and pyranose analogues from Hyacinthus orientalis. J Nat Prod. 1998 May;61(5):625-8.