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]
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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
TTD ID: D00MPA

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.