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
CHEMBL18361
CAS Number
14000-31-8
TTD ID
D0R4PI
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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 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]
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References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.