Details of the Drug

General Information of Drug (ID: DMBWSCR)

Drug Name
1-Methyl-4-(1-phenyl-ethyl)-piperazine
Synonyms CHEMBL195009; 1-Methyl-4-(1-phenyl-ethyl)-piperazine; SCHEMBL2625061; BDBM50174064
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) 204.31
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H20N2
IUPAC Name
1-methyl-4-(1-phenylethyl)piperazine
Canonical SMILES
CC(C1=CC=CC=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H20N2/c1-12(13-6-4-3-5-7-13)15-10-8-14(2)9-11-15/h3-7,12H,8-11H2,1-2H3
InChIKey
CQTKDGNXBCFBTR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14364677
TTD ID
D00XMP

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.