Details of the Drug

General Information of Drug (ID: DMYUMHG)

• Drug Name: 9-(2-Hydroxyethyl)-9H-adenine
• Synonyms: 2-(6-aminopurin-9-yl)ethanol; 707-99-3; 9-(2-Hydroxyethyl)adenine; 9h-purine-9-ethanol, 6-amino-; 9-(2-hydroxyethyl) adenine; CHEMBL95897; 6-Amino-9H-purin-9-ethanol; VAQOTZQDXZDBJK-UHFFFAOYSA-N; 6-Amino-9-(2-hydroxyethyl)purine; 2-(6-Amino-9H-purin-9-yl)ethanol; 9-(2-Hydroxyethyl)-9H-adenine; NSC51467; N9 -hydroxyethyladenine; AC1Q4VHV; 9-(2hydroxyethyl)adenine; ACMC-209og5; TimTec1_003634; 9-(2'-hydroxyethyl)adenine; 9-(2-Hydroxyethyl)adenine.; SCHEMBL984944; 6-Amino-9h-purine-9-ethanol; AC1L69W8; ZINC36416; KS-00000VZR

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); 179.18
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C7H9N5O
  IUPAC Name: 2-(6-aminopurin-9-yl)ethanol
  Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)CCO)N
  InChI: InChI=1S/C7H9N5O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2,(H2,8,9,10)
  InChIKey: VAQOTZQDXZDBJK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 242652
  CAS Number: 707-99-3
  TTD ID: D0N8RM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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.