Details of the Drug

General Information of Drug (ID: DM6WJ4K)

Drug Name
4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid
Synonyms
4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID; 4-Hydroxy-furazan-3-carboxylic acid; 66313-36-8; OXQ; AC1L9M6V; 1,2,5-oxadiazole, OXD1; SCHEMBL1043406; CTK8F6043; CTK7J1234; BDBM23232; MolPort-002-679-216; ZINC6523895; FCH841687; AKOS030214651; AKOS000301440; DB02401; MCULE-2928095407; ST077901; TR-055247; AX8302019; 4-oxo-1,2,5-oxadiazole-3-carboxylic acid; BB 0257536
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 130.06
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C3H2N2O4
IUPAC Name
4-oxo-1,2,5-oxadiazole-3-carboxylic acid
Canonical SMILES
C1(=NONC1=O)C(=O)O
InChI
InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKey
IBRWUZLLHSXPKL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
448650
CAS Number
66313-36-8
DrugBank ID
DB02401
TTD ID
D03IMZ
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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