Details of the Drug

General Information of Drug (ID: DMCG5V2)

• Drug Name: Deoxyuridine-5'-Triphosphate
• Synonyms: dUTP; Deoxyuridine triphosphate; deoxy-UTP; DEOXYURIDINE-5'-TRIPHOSPHATE; 2'-Deoxyuridine 5'-triphosphate; Deoxyuridine 5'-triphosphate; 2'-deoxy-UTP; 2'-Deoxyuracil 5'-triphosphate; 1173-82-6; 102814-08-4; CHEMBL374361; CHEBI:17625; N(4)-Methoxydeoxycytidine triphosphate; 2'-deoxyuridine 5'-(tetrahydrogen triphosphate); Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-; 2'-Deoxyuridine-5'-triphosphate trisodium salt; [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosp

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); 468.14
  Logarithm of the Partition Coefficient (xlogp); -5.5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C9H15N2O14P3
  IUPAC Name: [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  Canonical SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
  InChI: InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
  InChIKey: AHCYMLUZIRLXAA-SHYZEUOFSA-N
• Cross-matching ID:
  PubChem CID: 65070
  ChEBI ID: CHEBI:17625
  CAS Number: 1173-82-6
  DrugBank ID: DB02333
  TTD ID: D01PSS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxyuridine triphosphate nucleotidohydrolase (Bact dut)	TTY8KJS	DUT_ECOLI	Inhibitor	[1]

References

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