Details of the Drug

General Information of Drug (ID: DMQUP7O)

Drug Name
Glyoxalate, Glyoxylate
Synonyms
glyoxylic acid; 298-12-4; 2-Oxoacetic Acid; Glyoxalic acid; Oxoacetic acid; Oxoethanoic acid; Formylformic acid; Acetic acid, oxo-; Oxalaldehydic acid; glyoxylate; alpha-Ketoacetic acid; glyoxalate; 2-Oxoacetic acid(50% in water); Formic acid, formyl-; oxaldehydic acid; Kyselina glyoxylova; GLYOXALATE, GLYOXYLATE; 563-96-2; CCRIS 1455; Acetic acid, 2-oxo-; HSDB 5559; Oxo-acetic acid; Kyselina glyoxylova [Czech]; UNII-JQ39C92HH6; NSC 27785; OCHCOOH; .alpha.-Ketoacetic acid; EINECS 206-058-5; BRN 0741891; JQ39C92HH6; Glyoxylic acid, 50% i
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) 74.04
Topological Polar Surface Area (xlogp) -0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C2H2O3
IUPAC Name
oxaldehydic acid
Canonical SMILES
C(=O)C(=O)O
InChI
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
InChIKey
HHLFWLYXYJOTON-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
760
ChEBI ID
CHEBI:16891
CAS Number
298-12-4
DrugBank ID
DB04343
TTD ID
D0U9EW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mycobacterium Isocitrate lyase (MycB icl) TT58ZYW ACEA_MYCTU 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.
2 Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp. Bioorg Med Chem Lett. 2007 May 1;17(9):2483-6.
3 Bromophenols as Candida albicans isocitrate lyase inhibitors. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6644-8.
4 Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis. Nat Struct Biol. 2000 Aug;7(8):663-8.