Details of the Drug

General Information of Drug (ID: DMZQ75M)

Drug Name
Pyrophosphate 2-
Synonyms pyrophosphate 2-; dihydrogen diphosphate; diphosphate(2-); AC1L1JDO; CHEBI:45212; H2P2O7(2-)
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) 175.96
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
H2O7P2-2
IUPAC Name
[hydroxy(oxido)phosphoryl] hydrogen phosphate
Canonical SMILES
OP(=O)([O-])OP(=O)(O)[O-]
InChI
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKey
XPPKVPWEQAFLFU-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
4995
ChEBI ID
CHEMBL45212
DrugBank ID
DB02831
TTD ID
D0A1DU
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
Angiogenin (ANG) TTURHFP ANGI_HUMAN Inhibitor [1]
Bacterial NH(3)-dependent NAD(+) synthetase (Bact nadE) TT8WCXO NADE_ECOLI Inhibitor [1]
Glutamine amidotransferase (GMPS) TTCFP0V GUAA_HUMAN Inhibitor [1]
Phosphogluconate dehydrogenase (PGD) TTZ3IFB 6PGD_HUMAN Inhibitor [1]
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ) TTBL49X HGXR_PLAFG Inhibitor [1]
Plasmodium Hypoxanthine-guanine-xanthine phosphoribosyltransferase (Malaria LACZ) TTOY91U HGXR_PLAFK Inhibitor [1]
Virus RNA-dependent RNA polymerase (Viru RdRP) TTSUKYD POLG_HCVJA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.