Details of the Drug

General Information of Drug (ID: DMUNCFQ)

• Drug Name: N-Acetyl-N'-Beta-D-Glucopyranosyl Urea
• Synonyms: N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA; CHEMBL443455; 1kti; DB03218; AC1L9K3W; SCHEMBL4307948; BDBM50263770; N-Acetyl-N'-(beta-D-glucopyranosyl)urea; N-(acetylcarbamoyl)-beta-D-glucopyranosylamine; N-ACETYL-N''-BETA-D-GLUCOPYRANOSYL UREA; N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide; N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)acetamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 264.23
  Logarithm of the Partition Coefficient (xlogp); -1.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C9H16N2O7
  IUPAC Name: N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide
  Canonical SMILES: CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  InChI: InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
  InChIKey: UQKBNLXZEGBQAF-JAJWTYFOSA-N
• Cross-matching ID:
  PubChem CID: 446801
  DrugBank ID: DB03218
  TTD ID: D03EDR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_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
Glycogen phosphorylase muscle form (GP)	DTT	PYGM	2.69E-01	-0.23	-0.14

References

• [1] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.