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) 2
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 6
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
CHEMBL240524
CAS Number
72-87-7
TTD ID
D05ZYM
INTEDE ID
DR1930
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-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) 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.