Details of the Drug

General Information of Drug (ID: DMA3FQP)

• Drug Name: 6-(4-methylpiperazin-1-yl)-9Hpurine
• Synonyms: 6-(4-methylpiperazin-1-yl)-9H-purine; 6-(4-methylpiperazin-1-yl)-7H-purine; CHEMBL594152; 99172-01-7; SDCCGMLS-0065440.P001; 6-(4-methylpiperazin-1-yl)-9Hpurine; AC1LFNRL; Oprea1_666011; MLS000419169; 6-(4-methylpiperazinyl)purine; SCHEMBL13718480; MolPort-000-847-583; MolPort-000-384-358; HMS2684L19; ZINC213869; HMS1650E09; CCG-26902; BBL036787; STK630143; BDBM50304512; NSC510935; AKOS001427557; AKOS005562847; NSC-510935; MCULE-5386395090; SMR000319851; ST45178781; AB00588487-02; SR-01000104630; SR-01000104630-1; Z57745256

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 218.26
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C10H14N6
  IUPAC Name: 6-(4-methylpiperazin-1-yl)-7H-purine
  Canonical SMILES: CN1CCN(CC1)C2=NC=NC3=C2NC=N3
  InChI: InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)
  InChIKey: AXPCNBLIEMWMMG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 756701
  TTD ID: D0QT2F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H4 receptor (H4R)	TTXJ178	HRH4_HUMAN	Inhibitor	[1]

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
Histamine H4 receptor (H4R)	DTT	HRH4	1.32E-01	0.1	0.9

References

• [1] 2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization. Bioorg Med Chem. 2009 Oct 15;17(20):7186-96.