Details of the Drug

General Information of Drug (ID: DMZU1GD)

Drug Name

1,5-Dideoxy-1,5-imino-D-xylitol

Synonyms

PIPERIDINE-3,4,5-TRIOL; (3R,4r,5S)-piperidine-3,4,5-triol; CHEMBL110830; 13042-55-2; 1,5-dideoxy-1,5-imino-xylitol; XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN; XDN; dideoxyiminoxylitol; 1,5-Dideoxy-1,5-imino-D-xylitol; AC1L9IA9; SCHEMBL955713; SCHEMBL2435095; SCHEMBL2435099; 1,5-dideoxy-1,5-iminoxylitol; MolPort-042-605-431; 172588-13-5; 3alpha,4beta,5alpha-Piperidinetriol; FCH951710; 3alpha,4alpha,5alpha-Piperidinetriol; BDBM50182798; (3S,5R)-piperidine-3,4,5-triol; AKOS006351347; ZINC104595290; ZINC100872034; AKOS006294154

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

133.15

Logarithm of the Partition Coefficient (xlogp)

-2.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C5H11NO3
IUPAC Name: (3S,5R)-piperidine-3,4,5-triol
Canonical SMILES: C1[C@H](C([C@H](CN1)O)O)O
InChI: InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5?
InChIKey: RMCNETIHECSPMZ-NGQZWQHPSA-N

Cross-matching ID

PubChem CID: 445612
TTD ID: D0R8TR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucosylceramidase (GBA)	TT1B5PU	GLCM_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures. Bioorg Med Chem. 2008 Aug 1;16(15):7330-6.