Details of the Drug

General Information of Drug (ID: DM73O2A)

Drug Name

9-Phenyl-9H-purin-6-ylamine

Synonyms

9-phenylpurin-6-amine; CHEMBL62756; 20145-09-9; 9-phenyladenine; 9-Phenyl-9H-purin-6-ylamine; 9H-Purin-6-amine, 9-phenyl-; NSC516599; AC1L6X8K; 6-Amino-9-phenyl-9H-purine; SCHEMBL5146335; CTK1A5420; DTXSID30325733; ZINC1604448; BDBM50009689; AKOS030561953

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)

211.22

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H9N5
IUPAC Name: 9-phenylpurin-6-amine
Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C11H9N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKey: QOZYZBRNUYGQNF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 350901
CAS Number: 20145-09-9
TTD ID: D0G8GA

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N6,9-disubstituted adenines: potent, selective antagonists at the A1 adenosine receptor. J Med Chem. 1991 Sep;34(9):2877-82.