Details of the Drug

General Information of Drug (ID: DM320RW)

Drug Name

2-amino-N-benzyl-6-phenyl-9H-purine-9-carboxamide

Synonyms

CHEMBL259164

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)

344.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H16N6O
IUPAC Name: 2-amino-N-benzyl-6-phenylpurine-9-carboxamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CC=C4
InChI: InChI=1S/C19H16N6O/c20-18-23-15(14-9-5-2-6-10-14)16-17(24-18)25(12-22-16)19(26)21-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,21,26)(H2,20,23,24)
InChIKey: MNONTGDJIJLFPU-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.