Details of the Drug

General Information of Drug (ID: DMSUFJZ)

• Drug Name: 4-(3-Methoxy-phenyl)-isoxazolidine-3,5-dione
• Synonyms: 3,5-Isoxazolidinedione, 4-(3-methoxyphenyl)-; CHEMBL165286

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); 207.18
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H9NO4
  IUPAC Name: 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione
  Canonical SMILES: COC1=CC=CC(=C1)C2C(=O)NOC2=O
  InChI: InChI=1S/C10H9NO4/c1-14-7-4-2-3-6(5-7)8-9(12)11-15-10(8)13/h2-5,8H,1H3,(H,11,12)
  InChIKey: GTLJNZXLCZDZRN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12762411
  TTD ID: D08ZZX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_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
Aldose reductase (AKR1B1)	DTT	AKR1B1	1.08E-20	0.94	1.58

References

• [1] Isoxazolidine-3,5-diones as lens aldose reductase inhibitors. J Med Chem. 1982 Jun;25(6):745-7.