Details of the Drug

General Information of Drug (ID: DMPZURH)

• Drug Name: Isoxazolecarboxylic acid
• Synonyms: CHEMBL133541; SCHEMBL5619846; SCHEMBL5619857; UBNWPQXLFRMMEI-GQCTYLIASA-N; BDBM50133280; isochroman-3-(S)-carboxylic acid methylester; 5-{3-[3-(3-Hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid; 5-(3-((1e)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid; 5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid

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); 113.07
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C4H3NO3
  IUPAC Name: 1,2-oxazole-3-carboxylic acid
  Canonical SMILES: C1=CON=C1C(=O)O
  InChI: InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
  InChIKey: UXYRXGFUANQKTA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11286453
  CAS Number: 3209-71-0
  TTD ID: D03CBD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PTPN1 messenger RNA (PTPN1 mRNA)	TTELIN2	PTN1_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
PTPN1 messenger RNA (PTPN1 mRNA)	DTT	PTPN1	9.44E-01	7.21E-03	0.08

References

• [1] Synthesis and evaluation of some novel dibenzo[b,d]furan carboxylic acids as potential anti-diabetic agents. Eur J Med Chem. 2010 Sep;45(9):3709-18.