Details of the Drug

General Information of Drug (ID: DML7UVA)

• Drug Name: NAG 1-phosphate
• Synonyms: N-Acetyl-glucosamine 1-phosphate; N-Acetylglucosamine 1-phosphate; N-Acetylglucosamine-1-phosphate; SCHEMBL5679031; delta-glucosamine 1-phosphate; 2-acetamido-2-deoxy-1-O-phosphono-D-glucopyranose; 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate; 6866-69-9; AC1L990N; C04256; CHEBI:7125; CTK2F5371; DTXSID90988348; N-Acetyl-D-glucosamine 1-phosphate; N-acetyl-alpha-delta-glucosamine 1-phosphate; N-acetyl-delta-glucosamine 1-phosphate; N-ACETYL-D-GLUCOSAMINE-1-P; bmse000163
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 301.19
  Logarithm of the Partition Coefficient (xlogp); -3.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C8H16NO9P
  IUPAC Name: [(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
  Canonical SMILES: CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O
  InChI: FZLJPEPAYPUMMR-RTRLPJTCSA-N
  InChIKey: 1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
• Cross-matching ID:
  PubChem CID: 440272
  ChEBI ID: CHEBI:7125
  CAS Number: 6866-69-9
  INTEDE ID: DR2112

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-N-acetylhexosamine pyrophosphorylase (AGX) Main DME	DETYWG5	UAP1_HUMAN	Substrate	[1]

References

• [1] Crystal structures of two human pyrophosphorylase isoforms in complexes with UDPGlc(Gal)NAc: role of the alternatively spliced insert in the enzyme oligomeric assembly and active site architecture. EMBO J. 2001 Nov 15;20(22):6191-202.