Details of the Drug

General Information of Drug (ID: DMKLZXV)

• Drug Name: 3-Hydroxyisoxazole-4-Carboxylic Acid
• Synonyms: 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID; 178316-78-4; GAG; AC1L9M6X; 3-isoxazolol carboxylic acid; SCHEMBL353410; CHEMBL1232960; CTK0H1143; BDBM23242; DTXSID30332285; 1,2(1,5)-Isoxazole, IOA1; AKOS022719234; AKOS006383552; 3-oxo-1,2-oxazole-4-carboxylic acid; DB02111; 3-hydroxy-1,2-oxazole-4-carboxylic acid; 3-oxo-2,3-dihydroisoxazole-4-carboxylic acid; 2429-EP2311823A1; 2429-EP2308960A1; 4-Isoxazolecarboxylicacid, 2,3-dihydro-3-oxo-

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); 129.07
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C4H3NO4
  IUPAC Name: 3-oxo-1,2-oxazole-4-carboxylic acid
  Canonical SMILES: C1=C(C(=O)NO1)C(=O)O
  InChI: InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
  InChIKey: JLPHBZYAQYOJND-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 448651
  CAS Number: 178316-78-4
  DrugBank ID: DB02111
  TTD ID: D09EDP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
L-lactate dehydrogenase (LDH)	TTAZHU0	LDHA_HUMAN ; LDHB_HUMAN ; LDHC_HUMAN	Inhibitor	[1]

References

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