Details of the Drug

General Information of Drug (ID: DMR48NG)

• Drug Name: 5'-deoxythymidine
• Synonyms: 5'-Deoxythymidine; 3458-14-8; Thymidine, 5'-deoxy-; 5'-Ddthd; 2',5'-Dideoxythymidine; 5'-Deoxythymidine, 98%; AC1L22MY; SCHEMBL2056693; CHEMBL465901; CTK1C3983; DTXSID70188127; MolPort-003-930-221; ZINC5765072; AKOS015892581; 5 inverted exclamation marka-Deoxythymidine; FT-0772769; C-44347; I03-1540; 5''-Deoxythymidine; AC1L22MY; SureCN2056693;; 2 inverted exclamation marka,5 inverted exclamation marka-Dideoxythymidine; 1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-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); 226.23
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H14N2O4
  IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
  Canonical SMILES: C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
  InChI: InChI=1S/C10H14N2O4/c1-5-4-12(10(15)11-9(5)14)8-3-7(13)6(2)16-8/h4,6-8,13H,3H2,1-2H3,(H,11,14,15)/t6-,7+,8-/m1/s1
  InChIKey: UGUILUGCFSCUKR-GJMOJQLCSA-N
• Cross-matching ID:
  PubChem CID: 65120
  CAS Number: 3458-14-8
  TTD ID: D0U2KT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Thymidine monophosphate kinase (MycB tmk)	TT5B8AX	KTHY_MYCTU	Inhibitor	[1]

References

• [1] Thymidylate kinase as target enzyme for 5'-deoxythymidine and various 5'-deoxy-5'-halogeno pyrimidine nucleosides. Acta Biol Med Ger. 1969;23(6):Suppl:K 19+.