Details of the Drug

General Information of Drug (ID: DMETDQC)

• Drug Name: 1-Benzyl-4-methyl-piperazine
• Synonyms: 1-benzyl-4-methylpiperazine; 62226-74-8; 1-benzyl-4-methyl-piperazine; CHEMBL363603; Piperazine, 1-methyl-4-(phenylmethyl)-; 4-Benzyl-1-methylpiperazine; 1-Benzyl-4-methylpiperazinehydrochloride; PubChem10987; AC1LG1B6; Cambridge id 5263722; N-benzyl-N'-methylpiperazine; SCHEMBL221139; Methyl piperazine, polymer-bound; CTK2C4522; DTXSID90354100; Methyl piperazinomethyl polystyrene; MolPort-000-882-836; MLJOKPBESJWYGL-UHFFFAOYSA-N; HMS1579O15; BCP22253; MFCD00976530; ZINC19536830; STK115879; BDBM50174044

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); 190.28
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H18N2
  IUPAC Name: 1-benzyl-4-methylpiperazine
  Canonical SMILES: CN1CCN(CC1)CC2=CC=CC=C2
  InChI: InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
  InChIKey: MLJOKPBESJWYGL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 763557
  CAS Number: 62226-74-8
  TTD ID: D0D8YP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanocortin receptor 4 (MC4R)	TTD0CIQ	MC4R_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
Melanocortin receptor 4 (MC4R)	DTT	MC4R	5.64E-01	-0.04	-0.18

References

• [1] Privileged structure based ligands for melanocortin receptors--substituted benzylic piperazine derivatives. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4973-8.