General Information of Drug (ID: DMTYBC9)

Drug Name
OXAMATE
Synonyms
Oxamic acid; OXAMIC ACID; 471-47-6; 2-Amino-2-oxoacetic acid; oxamate; Acetic acid, aminooxo-; Oxalamic acid; Oxamidic acid; Oxalic acid monoamide; amino(oxo)acetic acid; Aminooxoacetic acid; Glycine, 2-oxo-; Oxamate (repellent); Glyoxylic acid, amino-; Formic acid, carbamoyl-; UNII-QU60N5OPLG; Oxamate, (aminocarbonyl)-; carbamoylformic acid; Formic acid, (aminocarbonyl)-; QU60N5OPLG; Oxamate (insect repellant); Acetic acid, 2-amino-2-oxo-; CHEBI:18058; Oxamic acid, 98%; OXM; C2H3NO3; Oxalic monoamide; Oxamate, 3; EINECS 207-443-0; NSC 47001; Oxamic Acid
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) 89.05
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C2H3NO3
IUPAC Name
oxamic acid
Canonical SMILES
C(=O)(C(=O)O)N
InChI
InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
InChIKey
SOWBFZRMHSNYGE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
974
ChEBI ID
CHEBI:18058
CAS Number
471-47-6
DrugBank ID
DB03940
TTD ID
D0LP2H

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [2]
L-lactate dehydrogenase (LDH) TTAZHU0 LDHA_HUMAN ; LDHB_HUMAN ; LDHC_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
L-lactate dehydrogenase A chain (LDHA) OTN7K4XB LDHA_HUMAN Gene/Protein Processing [3]
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.
2 Aminomethyl-1,2,4-benzothiadiazines as potential analogues of gamma-aminobutyric acid. Unexpected discovery of a taurine antagonist. J Med Chem. 1982 Feb;25(2):113-6.
3 Discovery of N-hydroxyindole-based inhibitors of human lactate dehydrogenase isoform A (LDH-A) as starvation agents against cancer cells. J Med Chem. 2011 Mar 24;54(6):1599-612. doi: 10.1021/jm101007q. Epub 2011 Feb 18.