Details of the Drug

General Information of Drug (ID: DMRKIYB)

• Drug Name: NA-alpha-D-glucosamine
• Synonyms: N-Acetyl-alpha-D-glucosamine; N-acetyl-alpha-D-glucosamine; T13TI5GH3D; alpha-GlcNAc; 10036-64-3; 1rdn; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE; 2-(acetylamino)-2-deoxy-D-glucose; 2-(acetylamino)-2-deoxy-alpha-D-glucopyranose; 2-Acetamido-2-deoxy-alpha-D-glucopyranose; AC1L335S; AC1Q5JMQ; CHEBI:44278; CHEMBL1234669; EINECS 233-115-1; N-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide; N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; SCHEMBL19899; UNII-T13TI5GH3D; alpha-D-GlcNAc
• #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-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  Canonical SMILES: CC(=O)NC1C(C(C(OC1O)CO)O)O
  InChI: OVRNDRQMDRJTHS-PVFLNQBWSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 82313
  ChEBI ID: CHEBI:44278
  CAS Number: 10036-64-3
  DrugBank ID: DB03740
  INTEDE ID: DR2111

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Glyceraldehyde-3-phosphate dehydrogenase (gap)	DEVSIE6	A0A3A9YGB0_LACAI	Substrate	[1]
Phosphoglucomutase 3 (PGM3)	DER0EN5	AGM1_HUMAN	Substrate	[2]

References

• [1] Cloning, expression and characterization of a mucin-binding GAPDH from Lactobacillus acidophilus. Int J Biol Macromol. 2016 Oct;91:338-46.
• [2] Functional cloning and mutational analysis of the human cDNA for phosphoacetylglucosamine mutase: identification of the amino acid residues essential for the catalysis. Biochim Biophys Acta. 2000 Jul 24;1492(2-3):369-76.