Details of the Drug

General Information of Drug (ID: DMQ2SNL)

Drug Name
2-(carboxymethylamino)-2-oxoacetic acid
Synonyms
N-Oxalylglycine; 5262-39-5; Oxalylglycine; Oxaloglycine; 2-((Carboxymethyl)amino)-2-oxoacetic acid; UNII-VVW38EB8YS; N-(carboxycarbonyl)glycine; N-OXALYOLGLYCINE; VVW38EB8YS; 2-oxo-3-azaglutaric acid; CHEMBL90852; Glycine, N-(carboxycarbonyl)-; CHEBI:44482; OGA; C4H5NO5; 4idz; 4nrp; 2xml; 3hqr; N-oxalyl glycine, 1a; 2oq6; 1h2k; AC1MIVD0; Glycine,N-(carboxycarbonyl)-; SCHEMBL435820; BDBM26106; CTK8F0807; DTXSID20200601; MolPort-000-141-021; ZINC1534133; N-Oxalylglycine, > 4958AE
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) 147.09
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H5NO5
IUPAC Name
2-(carboxymethylamino)-2-oxoacetic acid
Canonical SMILES
C(C(=O)O)NC(=O)C(=O)O
InChI
InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChIKey
BIMZLRFONYSTPT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3080614
ChEBI ID
CHEMBL44482
CAS Number
5262-39-5
TTD ID
D08IZY
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HIF-prolyl hydroxylase 1 (HPH-1) TTMHFRY EGLN2_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) OT25JBA3 F263_HUMAN Gene/Protein Processing [2]
BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 (BNIP3) OT4SO7J4 BNIP3_HUMAN Gene/Protein Processing [2]
Protein NDRG1 (NDRG1) OTVO66BO NDRG1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone de... J Med Chem. 2010 Aug 12;53(15):5629-38.
2 Vulnerability of HIF1 and HIF2 to damage by proteotoxic stressors. Toxicol Appl Pharmacol. 2022 Jun 15;445:116041. doi: 10.1016/j.taap.2022.116041. Epub 2022 Apr 30.