Details of the Drug

General Information of Drug (ID: DMGFQLE)

• Drug Name: 9-(5,5-Difluoro-5-Phosphonopentyl)Guanine
• Synonyms: 9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE; CHEMBL236708; HA1; 5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-difluoropentylphosphonate; AC1L9MLH; SCHEMBL2230046; 1v48; BDBM50214705; DB04260; 9-(5'',5''-difluoro-5''-phosphonopentyl)guanine; 5-(2-amino-6-oxo-1H-purin-9-yl)-1,1-difluoropentylphosphonic acid; [5-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid; [5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-1,1-difluoro-pentyl]-phosphonic acid; 9-(5',5'-difluoro-5'-phosphonopentyl)guanine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 337.22
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C10H14F2N5O4P
  IUPAC Name: [5-(2-amino-6-oxo-1H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid
  Canonical SMILES: C1=NC2=C(N1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N
  InChI: InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
  InChIKey: JANQQPWTLXUSCD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 135460987
  DrugBank ID: DB04260
  TTD ID: D07BNM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Purine nucleoside phosphorylase (PNP)	TTMCF1Y	PNPH_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Purine nucleoside phosphorylase (PNP)	DTT	PNP	3.67E-04	1.95	2.55

References

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