Details of the Drug

General Information of Drug (ID: DM0UZHL)

• Drug Name: 1-(2-(benzyloxy)phenyl)piperazine
• Synonyms: 1-(2-(benzyloxy)phenyl)piperazine; 96221-84-0; 1-(2-Benzyloxy-phenyl)-piperazine; CHEMBL582928; 1-[2-(benzyloxy)phenyl]piperazine; SCHEMBL4673484; 1-(2-benzyloxyphenyl)piperazine; CTK7D1689; ZINC2527252; BDBM50299797; 9395AH; AKOS010941582; AB19552; AJ-37911; DA-00144; BBV-33344054; KB-212806; AX8291986; FT-0752442; Z-7800

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); 268.35
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H20N2O
  IUPAC Name: 1-(2-phenylmethoxyphenyl)piperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2OCC3=CC=CC=C3
  InChI: InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
  InChIKey: PPQUPQGZDGZYJI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22615724
  TTD ID: D0ZU5W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Discovery and pharmacological characterization of aryl piperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6604-7.