Details of the Drug

General Information of Drug (ID: DMQMH6S)

• Drug Name: Iodotubercidin
• Synonyms: IODOTUBERCIDIN

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); 392.15
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C11H13IN4O4
  IUPAC Name: (3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  Canonical SMILES: C1=C(C2=C(N=CN=C2N1C3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I
  InChI: InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11?/m1/s1
  InChIKey: WHSIXKUPQCKWBY-YNJARDAQSA-N
• Cross-matching ID:
  PubChem CID: 46875276
  TTD ID: D0S2FW

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] Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.