Details of the Drug

General Information of Drug (ID: DM5KAH6)

• Drug Name: 1-(2-Isopropoxy-phenyl)-piperazine
• Synonyms: 1-(2-isopropoxyphenyl)piperazine; 1-(2-Isopropoxy-phenyl)-piperazine; CHEMBL9669; 54013-91-1; 2-isopropoxyphenyl piperazine; SCHEMBL3867980; CTK1F9762; DTXSID40449277; QJULELIONYLITF-UHFFFAOYSA-N; ZINC26001539; BDBM50017448; 1-[2-(methylethoxy)phenyl]piperazine; AKOS010941535; N-[2-(1-methylethoxy)phenyl]piperazine; 1-[2-(1-methylethoxy)phenyl]piperazine; DA-05081; BC4321135; Piperazine, 1-[2-(1-methylethoxy)phenyl]-; FT-0741526

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); 220.31
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H20N2O
  IUPAC Name: 1-(2-propan-2-yloxyphenyl)piperazine
  Canonical SMILES: CC(C)OC1=CC=CC=C1N2CCNCC2
  InChI: InChI=1S/C13H20N2O/c1-11(2)16-13-6-4-3-5-12(13)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
  InChIKey: QJULELIONYLITF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10944016
  CAS Number: 54013-91-1
  TTD ID: D0E2FY

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.