Details of the Drug

General Information of Drug (ID: DM2P7YX)

• Drug Name: 1-(2-Ethoxy-phenyl)-piperazine
• Synonyms: 1-(2-Ethoxyphenyl)piperazine; 13339-01-0; 1-(2-Ethoxy-phenyl)-piperazine; CHEMBL273923; Piperazine,1-(2-ethoxyphenyl)-; FBQIUSDQWOLCNY-UHFFFAOYSA-N; 1-(2-Ethoxyphenyl)piperazinium chloride; ehoxyphenylpiperazine; EINECS 236-389-0; AC1Q57PR; AC1Q37ZC; Oprea1_356570; labotest-bb lt00233165; 4(2-eth-oxyphenyl)piperazine; SCHEMBL255189; 2-ethoxy-1-piperazinylbenzene; 1-(2-ehoxyphenyl)-piperazine; N-(2-ethoxyphenyl)-piperazine; AC1L359U; 1-(2-ethoxyphenyl)-piperazine; N-(2-ethyoxyphenyl)-piperazine; CTK4B8518

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); 206.28
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H18N2O
  IUPAC Name: 1-(2-ethoxyphenyl)piperazine
  Canonical SMILES: CCOC1=CC=CC=C1N2CCNCC2
  InChI: InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
  InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 83357
  CAS Number: 13339-01-0
  TTD ID: D03NWV

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]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_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] Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. J Med Chem. 1989 May;32(5):1052-6.