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]
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
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.