Details of the Drug

General Information of Drug (ID: DMGK05W)

• Drug Name: 5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate
• Synonyms: 5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE; AC1L9LOK; DB04294; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose; [[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxyphosphoryl]methylphosphonic acid

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); 388.1
  Logarithm of the Partition Coefficient (xlogp); -6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 13
• Chemical Identifiers:
  Formula: C6H15O13P3
  IUPAC Name: [[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxyphosphoryl]methylphosphonic acid
  Canonical SMILES: C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O
  InChI: InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
  InChIKey: JFMKBQDEISBIPL-KVTDHHQDSA-N
• Cross-matching ID:
  PubChem CID: 448176
  DrugBank ID: DB04294
  TTD ID: D08PEM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Nicotinate-nucleotide pyrophosphorylase (MycB nadC)	TTH29K0	NADC_MYCTU	Inhibitor	[1]

References

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