Details of the Drug

General Information of Drug (ID: DMOLIW4)

Drug Name

6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine

Synonyms

CHEMBL194383; 6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine; SCHEMBL3272682

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)

305.33

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H15N5O
IUPAC Name: 6-(furan-2-yl)-9-(2-phenylethyl)purin-2-amine
Canonical SMILES: C1=CC=C(C=C1)CCN2C=NC3=C(N=C(N=C32)N)C4=CC=CO4
InChI: InChI=1S/C17H15N5O/c18-17-20-14(13-7-4-10-23-13)15-16(21-17)22(11-19-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21)
InChIKey: LOCNLYLIABVQFH-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	6-(2-Furanyl)-9H-purin-2-amine derivatives as A2A adenosine antagonists. Bioorg Med Chem Lett. 2005 Apr 15;15(8):2119-22.