Details of the Drug

General Information of Drug (ID: DM8V5IH)

• Drug Name: 1-(2-(3-methoxyphenyl)-1-phenylethyl)piperazine
• Synonyms: CHEMBL212763; 1-(2-(3-methoxyphenyl)-1-phenylethyl)piperazine; 61311-72-6; 1-[2-(3-Methoxyphenyl)-1-phenylethyl]piperazine; SCHEMBL11504855; CTK2E2732; DTXSID40552210; BDBM50188044; Piperazine, 1-[2-(3-methoxyphenyl)-1-phenylethyl]-

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); 296.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H24N2O
  IUPAC Name: 1-[2-(3-methoxyphenyl)-1-phenylethyl]piperazine
  Canonical SMILES: COC1=CC=CC(=C1)CC(C2=CC=CC=C2)N3CCNCC3
  InChI: InChI=1S/C19H24N2O/c1-22-18-9-5-6-16(14-18)15-19(17-7-3-2-4-8-17)21-12-10-20-11-13-21/h2-9,14,19-20H,10-13,15H2,1H3
  InChIKey: CTAHXNUPBZTDFO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 13904719
  CAS Number: 61311-72-6
  TTD ID: D08LAY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]
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] N-(1,2-diphenylethyl)piperazines: a new class of dual serotonin/noradrenaline reuptake inhibitor. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4345-8.