Details of the Drug

General Information of Drug (ID: DM2SNR0)

• Drug Name: 1-(3-Fluoro-phenyl)-piperazine
• Synonyms: 1-(3-Fluorophenyl)piperazine; 3801-89-6; 1-(3-Fluoro-phenyl)-piperazine; Piperazine, 1-(3-fluorophenyl)-; 1-(3-fluorophenyl)-piperazine; CHEMBL269784; Piperazine,1-(3-fluorophenyl)-; EINECS 223-271-9; AC1Q4NBT; 3-fluorophenyl piperazine; (3-fluorophenyl)piperazine; AC1L2T0A; 4-(3-fluorophenyl)piperazine; N-(3-Fluorophenyl)piperazine; SCHEMBL315894; CTK4H9144; DTXSID40191426; MolPort-000-155-895; KIFCSMQTGWVMOD-UHFFFAOYSA-N; ZINC2529848; SBB089693; ANW-61692; 4877AB; BDBM50017455; AKOS000101159; FS-1513; KB-85106; AS-10296

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); 1.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H13FN2
  IUPAC Name: 1-(3-fluorophenyl)piperazine
  Canonical SMILES: C1CN(CCN1)C2=CC(=CC=C2)F
  InChI: InChI=1S/C10H13FN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
  InChIKey: KIFCSMQTGWVMOD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77418
  CAS Number: 3801-89-6
  TTD ID: D07LSC

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.