Details of the Drug

General Information of Drug (ID: DMQ4MUF)

• Drug Name: 1-(3-(benzyloxy)-2-methylphenyl)piperazine
• Synonyms: tolylpiperazine, 1; SCHEMBL4931607; CHEMBL483148; BDBM28584

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); 282.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H22N2O
  IUPAC Name: 1-(2-methyl-3-phenylmethoxyphenyl)piperazine
  Canonical SMILES: CC1=C(C=CC=C1OCC2=CC=CC=C2)N3CCNCC3
  InChI: InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3
  InChIKey: LLKMJMQVKKJDAT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25263303
  TTD ID: D0S4XR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_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 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

References

• [1] Synthesis and SAR of tolylamine 5-HT6 antagonists. Bioorg Med Chem Lett. 2009 May 1;19(9):2409-12.