Details of the Drug

General Information of Drug (ID: DMJK0MF)

• Drug Name: 1-Naphthalen-2-yl-piperazine
• Synonyms: 1-(naphthalen-2-yl)piperazine; 57536-91-1; 1-Naphthalen-2-yl-piperazine; 1-(2-NAPHTHYL)PIPERAZINE; CHEMBL278509; 1-naphthalen-2-ylpiperazine; Oprea1_405543; AC1MC234; SCHEMBL3138664; LWLBVIFUVSUSAY-UHFFFAOYSA-N; ZINC3716177; SBB076290; BDBM50007411; AKOS003591179; MCULE-5668438904

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); 212.29
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H16N2
  IUPAC Name: 1-naphthalen-2-ylpiperazine
  Canonical SMILES: C1CN(CCN1)C2=CC3=CC=CC=C3C=C2
  InChI: InChI=1S/C14H16N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-6,11,15H,7-10H2
  InChIKey: LWLBVIFUVSUSAY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2760172
  TTD ID: D0W2YN

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 1B receptor (HTR1B)	TTK8CXU	5HT1B_HUMAN	Inhibitor	[2]
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.
• [2] 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. J Med Chem. 1997 Nov 21;40(24):3974-8.