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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL1232960
CAS Number
178316-78-4
DrugBank ID
DB02111
TTD ID
D09EDP
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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.