Details of the Drug

General Information of Drug (ID: DMPJ0O6)

• Drug Name: 2-(9-Benzyl-9H-purin-6-ylamino)-ethanol
• Synonyms: MLS000083858; AC1LDHLL; CHEMBL7291; MolPort-002-645-925; HMS2407L21; ZINC2352774; STL140995; AKOS005714812; MCULE-9452123598; 2-[(9-benzylpurin-6-yl)amino]ethanol; SMR000048556; 112089-01-7

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); 269.3
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H15N5O
  IUPAC Name: 2-[(9-benzylpurin-6-yl)amino]ethanol
  Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)NCCO
  InChI: InChI=1S/C14H15N5O/c20-7-6-15-13-12-14(17-9-16-13)19(10-18-12)8-11-4-2-1-3-5-11/h1-5,9-10,20H,6-8H2,(H,15,16,17)
  InChIKey: ZOVSVHTVIDXQPS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 667207
  TTD ID: D0AR4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Benzodiazepine receptor binding activity of 6,9-disubstituted purines. J Med Chem. 1989 May;32(5):1020-4.