Details of the Drug

General Information of Drug (ID: DM94LID)

• Drug Name: 1-(2-Fluoro-phenyl)-piperazine
• Synonyms: 1-(2-Fluorophenyl)piperazine; 1011-15-0; Piperazine, 1-(2-fluorophenyl)-; 1-(2-Fluorophenyl)-piperazine; 1-(2-Fluoro-phenyl)-piperazine; CHEMBL9429; IVTZRJKKXSKXKO-UHFFFAOYSA-N; 1-(2-Fluorophenyl)piperazine, 97%; MFCD00040726; (2-fluorophenyl)piperazine; EINECS 213-780-4; oFPP; PubChem8573; 1-(2-fluorophenyl)piperazinehydrochloride; 2-fluorophenylpiperazine; 2-Fluorophenyl piperazine; ACMC-1BX8H; ortho-fluorophenylpiperazine; 4-(fluorophenyl)piperazine; AC1Q4O5O; AC1Q4L3C; AC1L2EA5; 1-(2-flurophenyl)piperazine

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); 180.22
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H13FN2
  IUPAC Name: 1-(2-fluorophenyl)piperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2F
  InChI: InChI=1S/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
  InChIKey: IVTZRJKKXSKXKO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70529
  CAS Number: 1011-15-0
  TTD ID: D08YJP

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.