Details of the Drug

General Information of Drug (ID: DMUNWJR)

• Drug Name: 6-(piperazin-1-yl)-9-propyl-9H-purine
• Synonyms: CHEMBL594489; 6-(piperazin-1-yl)-9-propyl-9H-purine

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); 246.31
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C12H18N6
  IUPAC Name: 6-piperazin-1-yl-9-propylpurine
  Canonical SMILES: CCCN1C=NC2=C1N=CN=C2N3CCNCC3
  InChI: InChI=1S/C12H18N6/c1-2-5-18-9-16-10-11(14-8-15-12(10)18)17-6-3-13-4-7-17/h8-9,13H,2-7H2,1H3
  InChIKey: BWJIAIMMFVYUQA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46228441
  TTD ID: D05FKE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_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
5-HT 2C receptor (HTR2C)	DTT	HTR2C	1.02E-02	-0.45	-0.37
5-HT 2C receptor (HTR2C)	DTT	HTR2C	2.27E-01	0.27	0.6

References

• [1] Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. Bioorg Med Chem Lett. 2010 Jan 1;20(1):266-71.