Details of the Drug

General Information of Drug (ID: DMZXF36)

Drug Name

N,8-diphenyl-9H-purin-6-amine

Synonyms

CHEMBL1210175; N,8-diphenyl-9H-purin-6-amine; N,8-Diphenyl-9H-purine-6-amine; BDBM50322830; SR-01000661492

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)

287.32

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H13N5
IUPAC Name: N,8-diphenyl-7H-purin-6-amine
Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C(=NC=N3)NC4=CC=CC=C4
InChI: InChI=1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,21,22)
InChIKey: OKZNIBWRMMFNQY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen synthase kinase-3 beta (GSK-3B)	DTT	GSK3B	1.26E-01	-0.23	-0.77

Molecular Expression Atlas (MEA)

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References

1	Novel 8-arylated purines as inhibitors of glycogen synthase kinase. Eur J Med Chem. 2010 Aug;45(8):3389-93.