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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.