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
CHEMBL17111
CAS Number
7540-64-9
TTD ID
D08NFH
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
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.