Details of the Drug

General Information of Drug (ID: DMC1HRA)

• Drug Name: Thiarabine
• Synonyms: THIARABINE; 26599-17-7; UNII-YCO2764D5Z; YCO2764D5Z; Thio-Cytarabine; 4'-Thioaracytidine; 4'-Thio-ara-C; T-araC; OSI 7836; 4'-Thio-1- beta-D-arabinofuranosylcytosine; cytidine, 4'-thio-arabino-; AC1L524F; SCHEMBL1955046; CHEMBL1631221; 4-Amino-1-(4-thio-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone; ZINC17378676; 2(1H)-Pyrimidinone, 4-amino-1-(4-thio-beta-D-arabinofuranosyl)-; SB18955; KB-81109; HY-16496; LS-193593; CS-0006364

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 259.279
  Logarithm of the Partition Coefficient (xlogp); -1.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C9H13N3O4S
  IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
  Canonical SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O
  InChI: InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
  InChIKey: GAKJJSAXUFZQTL-CCXZUQQUSA-N
• Cross-matching ID:
  PubChem CID: 168566
  CAS Number: 26599-17-7
  TTD ID: D0X3CD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT01139151) 4'-Thio-araC (Thiarabine) in Advanced Hematologic Malignancies. U.S. National Institutes of Health.
• [2] Enzymology of Purine and Pyrimidine Antimetabolites Used in the Treatment of Cancer. Chem Rev. 2009 July; 109(7): 2880-2893.