Details of the Drug

General Information of Drug (ID: DM7U81L)

• Drug Name: N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
• Synonyms: N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA; CHEMBL489799; BZD; 2qnb; DB04295; AC1L9JVC; SCHEMBL4311564; 1k08; 1k06; BDBM50263771; 1-(beta-D-Glucopyranosyl)-3-benzoylurea; N-BENZOYL-N''-BETA-D-GLUCOPYRANOSYL UREA; N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine; N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide; N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)benzamide

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); 326.3
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C14H18N2O7
  IUPAC Name: N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
  InChI: InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
  InChIKey: JSBCZGSPFATCOV-BZNQNGANSA-N
• Cross-matching ID:
  PubChem CID: 446600
  DrugBank ID: DB04295
  TTD ID: D0X7IZ

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