Details of the Drug

General Information of Drug (ID: DM78AJ1)

• Drug Name: 1-(pyridin-4-yl)piperazine
• Synonyms: 1-(4-Pyridyl)piperazine; 1008-91-9; 1-(pyridin-4-yl)piperazine; 1-Pyridin-4-yl-piperazine; 4-Piperazinopyridine; 1-(4-pyridyl)-piperazine; 4-pyridylpiperazine; 1-pyridin-4-ylpiperazine; 1-(4-pyridyl) piperazine; PIPERAZINE, 1-(4-PYRIDINYL)-; MFCD00040745; 4-(1-piperazino)pyridine; 1-(4-pyridinyl)piperazine; CHEMBL339069; 4-(1-PIPERAZINYL)PYRIDINE; 1-[4-pyridyl]piperazine; EINECS 213-764-7; 4-pyridyl piperazine; (4-pyridyl)piperazine; PubChem22899; l-(4-pyridyl)piperazine; AC1Q4WUQ; N-(4-Pyridyl)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); 163.22
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H13N3
  IUPAC Name: 1-pyridin-4-ylpiperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=NC=C2
  InChI: InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
  InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70517
  CAS Number: 1008-91-9
  TTD ID: D0T3HK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase D1 (PLD1)	TT3T17P	PLD1_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
Phospholipase D1 (PLD1)	DTT	PLD1	7.36E-01	0.08	0.15

References

• [1] Design and synthesis of isoform-selective phospholipase D (PLD) inhibitors. Part II. Identification of the 1,3,8-triazaspiro[4,5]decan-4-one privil... Bioorg Med Chem Lett. 2009 Apr 15;19(8):2240-3.