Details of the Drug

General Information of Drug (ID: DMND5EU)

Drug Name
Alpha-7-Deoxyhomonojirimycin
Synonyms CHEMBL503021; 7-Deoxyhomonojirimycin; alpha-1-C-Methyl-DNJ; SCHEMBL2438896; BDBM18359
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) 177.2
Logarithm of the Partition Coefficient (xlogp) -1.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H15NO4
IUPAC Name
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
Canonical SMILES
C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI
InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKey
ZEWFPWKROPWRKE-XUUWZHRGSA-N
Cross-matching ID
PubChem CID
10921056
TTD ID
D0ZC7V
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 New polyhydroxylated pyrrolidine, piperidine, and pyrrolizidine alkaloids from Scilla sibirica. J Nat Prod. 2002 Dec;65(12):1875-81.