Details of the Drug

General Information of Drug (ID: DMOYCBH)

Drug Name
6-(furan-2-yl)-9H-purin-2-amine
Synonyms
CHEMBL404447; 6-(2-furanyl)-9h-purin-2-amine; 442682-77-1; 6-(furan-2-yl)-9H-purin-2-amine; SCHEMBL3272888; 6-(furanyl)-9h-purin-2-amine; JZSMPSCWNAYWOI-UHFFFAOYSA-N; 6-(2-furyl)1H-purine-2-amine; 6-(2-Furyl)-1H-purine-2-amine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 201.18
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H7N5O
IUPAC Name
6-(furan-2-yl)-7H-purin-2-amine
Canonical SMILES
C1=COC(=C1)C2=C3C(=NC(=N2)N)N=CN3
InChI
InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14)
InChIKey
JZSMPSCWNAYWOI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9834240
ChEBI ID
CHEMBL404447
TTD ID
D00MPA
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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]
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References

1 Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. J Med Chem. 2009 Jan 8;52(1):33-47.