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
• #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
  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]

References

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