Details of the Drug

General Information of Drug (ID: DM1XBWR)

Drug Name

N-Acetyl-D-glucosamine

Synonyms

Aflexa; GlcNAc; NAcGlc; NDG; Crab Shell Chitin; Glucosamine Complex; Maxi GS; Natures Blend Glucosamine; Pharmaceutical aid; JFD00446; SB01966; GS-500; N-Acetylchitosamine; N-Acetylchondrosamine; N-Acetylgalactosamine; N-Acetylhexosamine; Glucosamine, N-acetyl; N-Acetyl-D-Allosamine; N-Acetyl-D-galactosamine; N-Acetyl-D-hexosamine; N-acetyl-D-mannosamine; N-Acetyl-D-glucosamine-Agarose; N-Acetyl-alpha-D-glucosamine; N-acetyl-alpha-D-glucosaminides; N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; N-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; 2-(Acetylamino)-2-deoxyhexopyranose; 2-ACETAMIDO-2-DEOXY-D-ALLOSE; 2-Acetamido-2-deoxy-D-glucose; 2-Acetamido-2-deoxyglucose; 2-Acetamido-D-glucose; 2-acetamido-2-deoxy-D-glucopyranose; 2-acetamido-2-deoxyhexopyranose; 6-Acetamido-6-deoxy-.alpha.-D-glucopyranose; 6-Acetamido-6-deoxy-acpha-D-glucopyranose

Indication

Disease Entry	ICD 11	Status	REF
Autoimmune diabetes	5A10	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Antiinflammatory Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

221.21

Logarithm of the Partition Coefficient (xlogp)

-1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C8H15NO6
IUPAC Name: N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Canonical SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
InChIKey: OVRNDRQMDRJTHS-RTRLPJTCSA-N

Cross-matching ID

PubChem CID: 439174
ChEBI ID: CHEBI:506227
CAS Number: 72-87-7
TTD ID: D05ZYM
INTEDE ID: DR1930

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alpha-N-acetylglucosaminidase (NAGLU)	TTDM6HZ	ANAG_HUMAN	Activator	[2]

------------------------------------------------------------------------------------

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
N-acetyl-D-glucosamine 2-epimerase (AGE)_{Main DME}	DEROYHE	RENBP_HUMAN	Substrate	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drug information of N-Acetyl-D-glucosamine, 2008. eduDrugs.
2	Development of bFGF-Chitosan Matrices and Their Interactions with Human Dermal Fibroblast Cells. J Biomater Sci Polym Ed. 2009;20(10):1335-51.
3	Production of N-acetyl-d-neuraminic acid by whole cells expressing Bacteroides thetaiotaomicron N-acetyl-d-glucosamine 2-epimerase and Escherichia coli N-acetyl-d-neuraminic acid aldolase. J Agric Food Chem. 2019 Jun 5;67(22):6285-6291.