Details of the Drug

General Information of Drug (ID: DMT6KI7)

Drug Name
Alpha-Phosphoribosylpyrophosphoric Acid
Synonyms
PRPP; PHOSPHORIBOSYL PYROPHOSPHATE; 5-Phospho-alpha-D-ribose 1-diphosphate; 5-Phosphoribosyl diphosphate; PRib-PP; 7540-64-9; phosphoribosylpyrophosphate; 5-Phosphoribosyl 1-pyrophosphate; Ribofuranose, 5-phosphate 1-pyrophosphate; PQGCEDQWHSBAJP-TXICZTDVSA-N; 5-Phosphorylribose 1-pyrophosphate; alpha-D-Ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate); 13270-65-0; 5-PHOSPHORYLRIBOSE-1-PYROPHOSPHATE; 5-phosphoribosyl-1-pyrophosphate
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): 3 Molecular Weight (mw) 390.07
Logarithm of the Partition Coefficient (xlogp) -5.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C5H13O14P3
IUPAC Name
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate
Canonical SMILES
C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKey
PQGCEDQWHSBAJP-TXICZTDVSA-N
Cross-matching ID
PubChem CID
7339
ChEBI ID
CHEBI:17111
CAS Number
7540-64-9
DrugBank ID
DB01632
TTD ID
D08NFH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Orotidine 5'-monophosphate decarboxylase (UMPS) TTAFJUD UMPS_HUMAN Inhibitor [1]
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ) TTBL49X HGXR_PLAFG 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.