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
Structure
3D MOL 2D MOL
#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
CHEMBL24344
CAS Number
2553-59-5
UNII
DZ2LFC6KEU
DrugBank ID
DB01709
TTD ID
D03KBV
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.