Details of the Drug

General Information of Drug (ID: DM6GTBC)

Drug Name
Beta-1-C-butenyl-1-deoxygalactonojirimycin
Synonyms CHEMBL1163562; beta-1-C-butenyl-1-deoxygalactonojirimycin
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) 215.29
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H21NO3
IUPAC Name
(2R,3S,4R,5S,6S)-6-but-3-enyl-2-(hydroxymethyl)-5-methylpiperidine-3,4-diol
Canonical SMILES
C[C@H]1[C@@H](N[C@@H]([C@@H]([C@@H]1O)O)CO)CCC=C
InChI
InChI=1S/C11H21NO3/c1-3-4-5-8-7(2)10(14)11(15)9(6-13)12-8/h3,7-15H,1,4-6H2,2H3/t7-,8-,9+,10+,11-/m0/s1
InChIKey
DJRPURFURDDUBK-DAWVFNFOSA-N
Cross-matching ID
PubChem CID
46906931
ChEBI ID
CHEMBL1163562
TTD ID
D0RU5N
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Alpha-galactosidase A (GLA) TTIS03D AGAL_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease. Bioorg Med Chem. 2010 Jun 1;18(11):3790-4.