Details of the Drug

General Information of Drug (ID: DMB06TA)

Drug Name

N-butylgalactonojirimycin

Synonyms

N-butylgalactonojirimycin; CHEMBL485842

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)

235.28

Logarithm of the Partition Coefficient (xlogp)

-1.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C10H21NO5
IUPAC Name: (2S,3R,4S,5S,6R)-1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
Canonical SMILES: CCCCN1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO
InChI: InChI=1S/C10H21NO5/c1-2-3-4-11-6(5-12)7(13)8(14)9(15)10(11)16/h6-10,12-16H,2-5H2,1H3/t6-,7+,8+,9-,10+/m1/s1
InChIKey: JNYIOZRCMYRRED-KBDSZGMXSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ceramide glucosyltransferase (UGCG)	TTPHEX3	CEGT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Accumulation of glucosylceramide in murine testis, caused by inhibition of beta-glucosidase 2: implications for spermatogenesis. J Biol Chem. 2007 Nov 9;282(45):32655-64.