Details of the Drug

General Information of Drug (ID: DM84D9W)

• Drug Name: 8-Amino-1,3-Dimethyl-3,7-Dihydropurine-2,6-Dione
• Synonyms: 8-Aminotheophylline; 8-Aminoteofiliny; Theophylline, 8-amino-; 19410-53-8; 8-Aminoteofiliny [Polish]; 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE; 1H-Purine-2,6-dione, 8-amino-3,7-dihydro-1,3-dimethyl-; 8-Amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-amino-1,3-dimethyl-7H-purine-2,6-dione; 8-amino-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione; 8-amino-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 8-Aminotheophyline; 1rs2; AC1L3TFO; AC1Q6LC1; Oprea1_659892; Oprea1_298061; Oprea1_442990; CHEMBL298737

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); 195.18
  Logarithm of the Partition Coefficient (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H9N5O2
  IUPAC Name: 8-amino-1,3-dimethyl-7H-purine-2,6-dione
  Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N
  InChI: InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
  InChIKey: ZZESAIGPDOBLKZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 95034
  CAS Number: 19410-53-8
  DrugBank ID: DB01778
  TTD ID: D0V0HJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Dihydroneopterinaldolase (Bact folB)	TTG9CFY	FOLB_ECOLI	Inhibitor	[1]

References

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