Details of the Drug

General Information of Drug (ID: DMX6GH5)

• Drug Name: 2-Phosphoglyceric Acid
• Synonyms: 2-Phospho-D-Glyceric Acid; D-Glycerate 2-phosphate; 2-phospho-D-glycerate; 2-phosphoglyceric acid; (2R)-3-hydroxy-2-(phosphonooxy)propanoic acid; 3-D-Hydroxy-2-phosphonooxy-propanoic acid; 2-phospho-(R)-glycerate; Glyceric acid-2-phosphate; D(+)2-Phosphoglyceric acid; SCHEMBL2726719; CTK1B7706; CHEBI:17835; GXIURPTVHJPJLF-UWTATZPHSA-N; 1-Carboxy-2-hydroxyethyl phosphate; AC1L9718; ZINC3869232; 3443-57-0; 2PG; 3-D-Hydroxy-2-phosphonooxy-propanoate; DB01709; (2R)-3-hydroxy-2-(phosphonooxy)propanoate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 186.06
  Logarithm of the Partition Coefficient (xlogp); -2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C3H7O7P
  IUPAC Name: 3-hydroxy-2-phosphonooxypropanoic acid
  Canonical SMILES: C(C(C(=O)O)OP(=O)(O)O)O
  InChI: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
  InChIKey: GXIURPTVHJPJLF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59
  ChEBI ID: CHEBI:24344
  CAS Number: 2553-59-5
  TTD ID: D03KBV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA)	TTVNA43	KDSA_ECOLI	Inhibitor	[1]
Bacterial Triosephosphate isomerase (Bact TPI)	TTNS6X4	TPIS_PLAFA	Inhibitor	[1]
Mycobacterium Bisphosphoglycerate phosphoglycerate mutase (MycB gpmI)	TTHJWVK	GPMI_MYCGE	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.