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]
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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
TTD ID: D0X6BK

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	Nitrogen-containing furanose and pyranose analogues from Hyacinthus orientalis. J Nat Prod. 1998 May;61(5):625-8.