Details of the Drug

General Information of Drug (ID: DML5ZEJ)

• Drug Name: 5'-iodotubercidin
• Synonyms: 5-Iodotubercidin; 24386-93-4; 5-iodotubericidin; 7-Deaza-7-iodoadenosine; 7-iodo-7-deazaadenosine; 7-iodotubercidin; (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL; CHEMBL99203; CHEBI:40167; 5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; NSC 113939; 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,5-iodo-7-b-D-ribofuranosyl-; 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-iodo-7-beta-D-ribofuranosyl-

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); 376.15
  Logarithm of the Partition Coefficient (xlogp); -0.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C11H13IN4O3
  IUPAC Name: (2R,3R,4S,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(iodomethyl)oxolane-3,4-diol
  Canonical SMILES: C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CI)O)O
  InChI: InChI=1S/C11H13IN4O3/c12-3-6-7(17)8(18)11(19-6)16-2-1-5-9(13)14-4-15-10(5)16/h1-2,4,6-8,11,17-18H,3H2,(H2,13,14,15)/t6-,7-,8-,11-/m1/s1
  InChIKey: RUOLUSLZJXGWAU-KCGFPETGSA-N
• Cross-matching ID:
  PubChem CID: 101649230
  DrugBank ID: DB04604
  TTD ID: D00RDY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine kinase (ADK)	TTL732K	ADK_HUMAN	Inhibitor	[1]

References

• [1] Inhibition of adenosine kinase attenuates interleukin-1- and lipopolysaccharide-induced alterations in articular cartilage metabolism. Osteoarthritis Cartilage. 2005 Mar;13(3):250-7.