Details of the Drug

General Information of Drug (ID: DMNM1EZ)

• Drug Name: 6-Hydroxy-7,8-Dihydro Purine Nucleoside

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); 270.24
  Logarithm of the Partition Coefficient (xlogp); -1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C10H14N4O5
  IUPAC Name: 9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-1H-purin-6-one
  Canonical SMILES: C1NC2=C(N1[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)N=CNC2=O
  InChI: InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7+,10+/m0/s1
  InChIKey: ZWTNXGIZBOQCAJ-FCIPNVEPSA-N
• Cross-matching ID:
  PubChem CID: 136254582
  TTD ID: D0V4UU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine deaminase (ADA)	TTLP57V	ADA_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.