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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL363603
CAS Number
62226-74-8
TTD ID
D0D8YP
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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