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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.