Details of the Drug

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: QU60N5OPLG
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)

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.
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.