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
CHEBI:45212
DrugBank ID
DB02831
TTD ID
D0A1DU

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.