Details of the Drug

General Information of Drug (ID: DMTC98X)

• Drug Name: 1-(1,3-diphenylpropyl)piperazine
• Synonyms: CHEMBL209707; 1-(1,3-diphenylpropyl)piperazine; SCHEMBL5444533

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); 280.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C19H24N2
  IUPAC Name: 1-(1,3-diphenylpropyl)piperazine
  Canonical SMILES: C1CN(CCN1)C(CCC2=CC=CC=C2)C3=CC=CC=C3
  InChI: InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)21-15-13-20-14-16-21/h1-10,19-20H,11-16H2
  InChIKey: QKYQOSPSZVKFEL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44414840
  TTD ID: D0W6WL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serotonin transporter (SERT)	TT3ROYC	SC6A4_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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

• [1] Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4349-53.