General Information of Drug (ID: DMCH6R1)

Drug Name
1-(4-Bromo-2,5-dimethoxy-phenyl)-piperazine
Synonyms CHEMBL348140; AC1NHEA9; 1-(2,5-dimethoxy-4-bromophenyl)piperazine; Oprea1_700068; BDBM50226218; AKOS003587698; 100939-87-5
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) 301.18
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H17BrN2O2
IUPAC Name
1-(4-bromo-2,5-dimethoxyphenyl)piperazine
Canonical SMILES
COC1=CC(=C(C=C1N2CCNCC2)OC)Br
InChI
InChI=1S/C12H17BrN2O2/c1-16-11-8-10(12(17-2)7-9(11)13)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKey
JLAQUWGWRNMYGA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4738744
TTD ID
D0D3OF

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 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [1]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. J Med Chem. 1986 May;29(5):630-4.