Details of the Drug

General Information of Drug (ID: DMHY30B)

Drug Name
Diphosphate
Synonyms
Pyrophosphate ion; 14000-31-8; UNII-X3SSV2V6L3; Diphosphate(4-); X3SSV2V6L3; phosphonato phosphate; diphospate; Pyrophosphat; Diphosphat; Pyrophosphate(4-); 2o1c; mu-oxo-hexaoxodiphosphate; AC1LD8JZ; Phosphate (P2O74-); Diphosphate (P2O74-); Pyrophosphate (P2O74-); Diphosphoric acid tetraanion; diphosphoric acid, ion(4-); DTXSID4074514; CHEBI:18361; CTK0H7511; 3c14; XPPKVPWEQAFLFU-UHFFFAOYSA-J; [O3POPO3](4-); mu-oxido-bis(trioxidophosphate)(4-); BDBM50278316; P2O7(4-)
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) 173.94
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
O7P2-4
IUPAC Name
phosphonato phosphate
Canonical SMILES
[O-]P(=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-4
InChIKey
XPPKVPWEQAFLFU-UHFFFAOYSA-J
Cross-matching ID
PubChem CID
644102
ChEBI ID
CHEBI:18361
CAS Number
14000-31-8
TTD ID
D0R4PI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial NH(3)-dependent NAD(+) synthetase (Bact nadE) TT8WCXO NADE_ECOLI Inhibitor [1]
Mycobacterium Thymidine monophosphate kinase (MycB tmk) TT5B8AX KTHY_MYCTU Inhibitor [1]
Plasmodium Adenylosuccinate synthetase (Malaria Adss) TTYQ4AE PURA_PLAFA 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.