Details of the Drug

General Information of Drug (ID: DMT17H0)

Drug Name
Alpha-Homonojirimycin
Synonyms
alpha-Homonojirimycin; Homonojirimycin; 119557-99-2; a-Homonojirimycin; alpha-Homoallonojirimycin; (2r,3r,5s,6r)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol; CHEMBL501355; CHEMBL2111688; Hnj cpd; .alpha.-Homonojirimycin; 2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol; AC1Q59RO; AC1L4LY0; 3,4,5-Piperidinetriol,2,6-bis(hydroxymethyl)-, (2R,3R,5S,6R)-; SCHEMBL2265531; SCHEMBL1469250; SCHEMBL2265529; BDBM18366; CTK4B1372; CLVUFWXGNIFGNC-OVHBTUCOSA-N; CLVUFWXGNIFGNC-QTSLKERKSA-N; alpha-homonojirimycin (alpha-HNJ); BDBM50259956
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): 2 Molecular Weight (mw) 193.2
Logarithm of the Partition Coefficient (xlogp) -2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H15NO5
IUPAC Name
(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Canonical SMILES
C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1
InChIKey
CLVUFWXGNIFGNC-QTSLKERKSA-N
Cross-matching ID
PubChem CID
159496
CAS Number
119557-99-2
TTD ID
D03TYC
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
Lysosomal alpha-glucosidase (GAA) TTLPC70 LYAG_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.