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]
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
CHEMBL307429
CAS Number
19130-96-2
UNII
FZ56898FLE
DrugBank ID
DB03206
TTD ID
D0S5LT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.