Details of the Drug

General Information of Drug (ID: DMVCM0I)

• Drug Name: 1-(4-Phenoxyphenyl)piperazine
• Synonyms: 1-(4-Phenoxyphenyl)piperazine; CHEMBL576512; 62755-61-7; EINECS 263-715-9; AC1MI4LW; Oprea1_372692; SCHEMBL2156502; 1-(4-phenoxylphenyl)piperazine; 1-(4-phenoxyphenyl)-piperazine; CEDIEUVYUSGIDQ-UHFFFAOYSA-N; Piperazine, 1-(4-phenoxyphenyl)-; BDBM50303652; ZINC11632570; AKOS000365585

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); 254.33
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H18N2O
  IUPAC Name: 1-(4-phenoxyphenyl)piperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)OC3=CC=CC=C3
  InChI: InChI=1S/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
  InChIKey: CEDIEUVYUSGIDQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3017356
  CAS Number: 62755-61-7
  TTD ID: D0V0MH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_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
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

References

• [1] Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of ... J Med Chem. 2010 Jan 28;53(2):573-85.