Details of the Drug

General Information of Drug (ID: DM9IHV6)

• Drug Name: 5-propyl-2'-deoxyuridine
• Synonyms: 5-Propyl-2'-deoxyuridine; 27826-74-0; CHEMBL221982; 5-Propyldeoxyuridine; 2'-Deoxy-5-propyluridine; 5-Propyl-dUrd; 5-Propyl-2'-desoxyuridine; AC1L4N4W; 2'-deoxy-5-n-propyluridine; Uridine,2'-deoxy-5-propyl-; Uridine, 2'-deoxy-5-propyl-; SCHEMBL2396529; CTK4G0305; DTXSID30182141; MBERTAKFBYOAHR-IVZWLZJFSA-N; BDBM50375778; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione

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); 270.28
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C12H18N2O5
  IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione
  Canonical SMILES: CCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
  InChI: InChI=1S/C12H18N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
  InChIKey: MBERTAKFBYOAHR-IVZWLZJFSA-N
• Cross-matching ID:
  PubChem CID: 160155
  CAS Number: 27826-74-0
  TTD ID: D0C7YS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine kinase 1 (TK1)	TTP3QRF	KITH_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
Thymidine kinase 1 (TK1)	DTT	TK1	1.14E-03	0.26	0.75

References

• [1] Sensitivity of monkey B virus (Cercopithecine herpesvirus 1) to antiviral drugs: role of thymidine kinase in antiviral activities of substrate anal... Antimicrob Agents Chemother. 2007 Jun;51(6):2028-34.