Details of the Drug

General Information of Drug (ID: DMWV8YX)

• Drug Name: 9-Ethyl-9H-adenine
• Synonyms: 9-ethyl-9h-purin-6-amine; 2715-68-6; 9-Ethyladenine; 9H-Purin-6-amine,9-ethyl; N9-Ethyladenine; 9-ethylpurin-6-amine; 9H-Purin-6-amine, 9-ethyl-; 9-ethyl adenine; 9-Ethyl-9H-purin-6-ylamine; 9H-Purin-6-amine,9-ethyl-; CHEMBL304009; Adenine, 9-ethyl-; 9-Ethyl-9H-adenine; N9 -ethyladenine; NSC 14580; 6-Amino-9-ethylpurine; AC1Q4VHH; ACMC-1CJP6; (9-ethylpurin-6-yl)amine; Adenine, 9-ethyl- (8CI); AC1L189M; SCHEMBL1924594; CTK4F9170; DTXSID50181616; MUIPLRMGAXZWSQ-UHFFFAOYSA-N; MolPort-004-964-357; ZINC402896; NSC14580; KS-000000ID

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); 163.18
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H9N5
  IUPAC Name: 9-ethylpurin-6-amine
  Canonical SMILES: CCN1C=NC2=C(N=CN=C21)N
  InChI: InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
  InChIKey: MUIPLRMGAXZWSQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7
  CAS Number: 2715-68-6
  TTD ID: D03JFX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

References

• [1] 8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorg Med Chem. 2009 Apr 1;17(7):2812-22.