Details of the Drug

General Information of Drug (ID: DMQT9OK)

• Drug Name: 2-Piperazin-1-yl-phenol
• Synonyms: 1011-17-2; 2-(piperazin-1-yl)phenol; 1-(2-Hydroxyphenyl)piperazine; 2-(1-piperazinyl)phenol; 2-(1-Piperazino)phenol; 2-piperazin-1-ylphenol; Phenol, 2-(1-piperazinyl)-; o-(1-Piperazinyl)phenol; 2-Piperazin-1-yl-phenol; n-(2-hydroxyphenyl)piperazine; 1-(2-Hydroxyphenyl)-piperazine; CHEMBL266250; 2-piperazinylphenol; EINECS 213-782-5; 2-Piperazinophenol; rarechem ah ck 0117; ACMC-209v6m; 2-(1-piperazinyl) phenol; AC1L2EA8; AC1Q7AO1; 2-(piperazine-1-yl)phenol; Oprea1_446736; labotest-bb lt01596124; SCHEMBL531748; AC1Q788T

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); 178.23
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H14N2O
  IUPAC Name: 2-piperazin-1-ylphenol
  Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2O
  InChI: InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
  InChIKey: UORNTHBBLYBAJJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70530
  CAS Number: 1011-17-2
  TTD ID: D02OZB

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] Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. J Med Chem. 1986 May;29(5):630-4.