Details of the Drug

General Information of Drug (ID: DMO14NH)

Drug Name
2-Phosphoglycolic Acid
Synonyms
Phosphoglycolic acid; 2-Phosphoglycolic Acid; phosphoglycolate; (Phosphonooxy)acetic acid; 13147-57-4; Glycophosphoric acid; acetic acid, (phosphonooxy)-; UNII-H8593JOP13; 2-phosphoglycolate; Glycolic acid phosphate; CHEBI:17150; H8593JOP13; 2-phosphonatoglycolate; (phosphonooxy)essigs; Glycophosphorate; 1hti; 1lyx; 1egh; 2ypi; 1pdz; 1lzo; EINECS 236-084-2; (Phosphonooxy)acetate; Phosphonooxyacetic acid; (phosphonooxy)-acetate; 1kv5; 1ml1; 1aw1; 2-phosphonooxyacetic acid; Glycolic acid-2-phosphate; (phosphonooxy)-acetic acid; AC1Q6RY7
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) 156.03
Topological Polar Surface Area (xlogp) -2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C2H5O6P
IUPAC Name
2-phosphonooxyacetic acid
Canonical SMILES
C(C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
ASCFNMCAHFUBCO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
529
ChEBI ID
CHEBI:17150
CAS Number
13147-57-4
DrugBank ID
DB02726
TTD ID
D08XXE

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.