Details of the Drug

General Information of Drug (ID: DMWAK1R)

• Drug Name: PHENYLPIPERAZINE
• Synonyms: 1-PHENYLPIPERAZINE; 92-54-6; N-Phenylpiperazine; Phenylpiperazine; Piperazine, 1-phenyl-; 1-Phenyl-piperazine; 1-Fenylpiperazin [Czech]; UNII-J9225CBI7D; n-phenyl piperazine; 1-phenyl piperazine; CCRIS 4334; N-Phenyldiethylenediamine; EINECS 202-165-6; BRN 0132157; CHEMBL9434; AI3-26332; J9225CBI7D; YZTJYBJCZXZGCT-UHFFFAOYSA-N; MFCD00005957; 1-Phenylpiperazine, 97%; 1-Fenylpiperazin; N-phenylpiperazin; N-PHENYLPIPERAZINE HYDROCHLORIDE; 1-phenylpiperazinehydrochloride; phenyl piperazine; phenyl-piperazine; N-phenylpyperazine

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); 162.23
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H14N2
  IUPAC Name: 1-phenylpiperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2
  InChI: InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
  InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7096
  CAS Number: 92-54-6
  TTD ID: D0X4RC

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]
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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] 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80.