Details of the Drug

General Information of Drug (ID: DMT17H0)

Drug Name

Alpha-Homonojirimycin

Synonyms

alpha-Homonojirimycin; Homonojirimycin; 119557-99-2; a-Homonojirimycin; alpha-Homoallonojirimycin; (2r,3r,5s,6r)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol; CHEMBL501355; CHEMBL2111688; Hnj cpd; .alpha.-Homonojirimycin; 2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol; AC1Q59RO; AC1L4LY0; 3,4,5-Piperidinetriol,2,6-bis(hydroxymethyl)-, (2R,3R,5S,6R)-; SCHEMBL2265531; SCHEMBL1469250; SCHEMBL2265529; BDBM18366; CTK4B1372; CLVUFWXGNIFGNC-OVHBTUCOSA-N; CLVUFWXGNIFGNC-QTSLKERKSA-N; alpha-homonojirimycin (alpha-HNJ); BDBM50259956

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): 2

Molecular Weight (mw)

193.2

Logarithm of the Partition Coefficient (xlogp)

-2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C7H15NO5
IUPAC Name: (2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Canonical SMILES: C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O
InChI: InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1
InChIKey: CLVUFWXGNIFGNC-QTSLKERKSA-N

Cross-matching ID

PubChem CID: 159496
CAS Number: 119557-99-2
TTD ID: D03TYC

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures. Bioorg Med Chem. 2008 Aug 1;16(15):7330-6.