Details of the Drug

General Information of Drug (ID: DM67QDT)

Drug Name
3-Hydroxypyruvic Acid
Synonyms
3-Hydroxypyruvic acid; hydroxypyruvic acid; 3-Hydroxy-2-oxopropanoic acid; hydroxypyruvate; 1113-60-6; beta-Hydroxypyruvate; UNII-934B2KHY0S; 3-hydroxypyruvate; 934B2KHY0S; OH-pyruvate; OH-pyr; 3PY; 4mfe; beta-Hydoxypyruvic acid; beta-Hydroxypyruvic acid; AC1L1AFB; SCHEMBL60708; CTK8A1122; CHEBI:30841; DTXSID40149588; MolPort-006-168-729; ZINC1532558; AKOS006378194; DB02951; HY-113013; CS-0059352; C00168; J-002568; beta-Hydroxypyruvic acid, >=95.0% (dry substance, T)
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) 104.06
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H4O4
IUPAC Name
3-hydroxy-2-oxopropanoic acid
Canonical SMILES
C(C(=O)C(=O)O)O
InChI
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
964
ChEBI ID
CHEBI:30841
CAS Number
1113-60-6
DrugBank ID
DB02951
TTD ID
D0Q7SY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Triosephosphate isomerase (Bact TPI) TTNS6X4 TPIS_PLAFA 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.