Details of the Drug

General Information of Drug (ID: DM5IJSW)

Drug Name
2,5-imino-2,5,6-trideoxy-D-manno-heptitol
Synonyms CHEMBL407337; 6-deoxyhomoDMDP; 2,5-imino-2,5,6-trideoxy-D-manno-heptitol; SCHEMBL2437378; BDBM50234571; 2alpha-Hydroxymethyl-3beta,4alpha-dihydroxypyrrolidine 5beta-ethanol
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) -2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H15NO4
IUPAC Name
(2R,3R,4R,5R)-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES
C(CO)[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O
InChI
InChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(3-10)8-4/h4-12H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKey
AGFACLQFIYFFOI-DBRKOABJSA-N
Cross-matching ID
PubChem CID
10374978
ChEBI ID
CHEMBL407337
TTD ID
D0X6BK
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 Nitrogen-containing furanose and pyranose analogues from Hyacinthus orientalis. J Nat Prod. 1998 May;61(5):625-8.