Details of the Drug

General Information of Drug (ID: DMO6CB7)

Drug Name

9-benzyl-6-(furan-2-yl)-9H-purin-2-amine

Synonyms

CHEMBL196436; 9-benzyl-6-(furan-2-yl)-9H-purin-2-amine; SCHEMBL3268454; 2-amino-6-furyl-9-benzyl purine; BDBM50165066

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)

291.31

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H13N5O
IUPAC Name: 9-benzyl-6-(furan-2-yl)purin-2-amine
Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C4=CC=CO4
InChI: InChI=1S/C16H13N5O/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,19,20)
InChIKey: FZKKCBUDFSOYPA-UHFFFAOYSA-N

Cross-matching ID

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)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpu... Bioorg Med Chem Lett. 2008 May 1;18(9):2924-9.