Details of the Drug

General Information of Drug (ID: DMIK9VO)

• Drug Name: 3-Phosphoglyceric Acid
• Synonyms: 3-phospho-D-glycerate; 3-phosphoglycerate; 3-phosphoglyceric acid; D-Glycerate 3-phosphate; 3-phospho-(R)-glycerate; CHEBI:17794; 3-phospho-D-glyceric acid; (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid; 2-D-Hydroxy-3-phosphonooxy-propanoic acid; 3443-58-1; 3PG; (2R)-2-hydroxy-3-(phosphonatooxy)propanoate; 1iih; 820-11-1; bmse000007; SCHEMBL2497743; AC1L96U5; CHEMBL1160563; CTK1B7705; OSJPPGNTCRNQQC-UWTATZPHSA-N; ZINC3869934; BDBM50216218; DB04510; (2R)-2-hydroxy-3-phosphonooxypropanoic acid; C00197; Propanoic acid, 2-hydroxy-3-(ph

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
  Topological Polar Surface Area (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: (2R)-2-hydroxy-3-phosphonooxypropanoic acid
  Canonical SMILES: C([C@H](C(=O)O)O)OP(=O)(O)O
  InChI: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
  InChIKey: OSJPPGNTCRNQQC-UWTATZPHSA-N
• Cross-matching ID:
  PubChem CID: 439183
  ChEBI ID: CHEBI:17794
  CAS Number: 820-11-1
  DrugBank ID: DB04510
  TTD ID: D0WQ7U

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]
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.
• [2] Modes of action of anthelmintic drugs. Vet J. 1997 Jul;154(1):11-34.