Details of the Drug

General Information of Drug (ID: DMOUG6Y)

• Drug Name: 2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose
• Synonyms: Beta-N-Acetylglucosamine; betaGlcNAc; GlcNAc-beta; CHEBI:28009; UNII-8P59336F68; 2-Acetamido-2-deoxy-beta-D-glucose; AI3-51898; 8P59336F68; N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide; Cheon shim bo yun

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)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-PVFLNQBWSA-N
• Cross-matching ID:
  PubChem CID: 82313
  ChEBI ID: CHEBI:44278
  CAS Number: 10036-64-3
  UNII: T13TI5GH3D
  DrugBank ID: DB03740
  TTD ID: D06IEN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]
Angiotensin-converting enzyme (ACE)	TTL69WB	ACE_HUMAN	Inhibitor	[1]
Glucosylceramidase (GBA)	TT1B5PU	GLCM_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.