Details of the Drug

General Information of Drug (ID: DM2ATZB)

Drug Name

Deoxynojirimycin

Synonyms

1-DEOXYNOJIRIMYCIN; 19130-96-2; DUVOGLUSTAT; deoxynojirimycin; Moranoline; (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol; 1,5-Deoxy-1,5-imino-D-mannitol; Moranolin; UNII-FZ56898FLE; D-1-deoxynojirimycin; 1,5-Dideoxy-1,5-imino-D-glucitol; CHEMBL307429; C6H13NO4; FZ56898FLE; CHEBI:44369; 1-Deoxy-Nojirimycin; 5-Amino-1,5-dideoxy-D-glucopyranose; DNJ; AK151410; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4R,5S)-; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-

Indication

Disease Entry	ICD 11	Status	REF
Pompe disease	5C51.3	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

163.17

Logarithm of the Partition Coefficient (xlogp)

-2.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C6H13NO4
IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Canonical SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI: InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N

Cross-matching ID

PubChem CID: 29435
ChEBI ID: CHEBI:44369
CAS Number: 19130-96-2
DrugBank ID: DB03206
TTD ID: D0S5LT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alpha-glucosidase (GLA)	TTHCF4J	LYAG_HUMAN ; GANAB_HUMAN ; GANC_HUMAN	Inhibitor	[2]
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_HUMAN	Inhibitor	[2]
Lysosomal alpha-glucosidase (GAA)	TTLPC70	LYAG_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Pompe disease

ICD Disease Classification

5C51.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	The pharmacological chaperone 1-deoxynojirimycin increases the activity and lysosomal trafficking of multiple mutant forms of acid alpha-glucosidase. Hum Mutat. 2009 Dec;30(12):1683-92.
2	Nitrogen-in-the-ring pyranoses and furanoses: structural basis of inhibition of mammalian glycosidases. J Med Chem. 1994 Oct 28;37(22):3701-6.
3	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.