Details of the Drug

General Information of Drug (ID: DM5SM8X)

• Drug Name: 3'-THIO-THYMIDINE-5'-PHOSPHATE
• Synonyms: 3'-THIO-THYMIDINE-5'-PHOSPHATE; DB08651; 3'-thiothymidine 5'-(dihydrogen phosphate); 3'-Mercapto-3'-deoxythymidine 5'-phosphoric acid; [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxyphosphonic acid

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); 338.28
  Logarithm of the Partition Coefficient (xlogp); -1.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C10H15N2O7PS
  IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methyl dihydrogen phosphate
  Canonical SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S
  InChI: InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1
  InChIKey: BORVFKJZAOEGOO-GJMOJQLCSA-N
• Cross-matching ID:
  PubChem CID: 46937170
  DrugBank ID: DB08651
  TTD ID: D02MKW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II beta (TOP2B)	TT4NVEM	TOP2B_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.