Details of the Drug

General Information of Drug (ID: DMAPWNR)

Drug Name

2-(4-chlorophenyl)-6-phenyl-9H-purine

Synonyms

CHEMBL205586; 2-(4-chlorophenyl)-6-phenyl-9H-purine

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)

306.7

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H11ClN4
IUPAC Name: 2-(4-chlorophenyl)-6-phenyl-7H-purine
Canonical SMILES: C1=CC=C(C=C1)C2=C3C(=NC(=N2)C4=CC=C(C=C4)Cl)N=CN3
InChI: InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)
InChIKey: FPWZFVSRIINTRB-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]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists. J Med Chem. 2006 May 18;49(10):2861-7.