Details of the Drug

General Information of Drug (ID: DM0DZFX)

Drug Name
4-(4-benzenesulfonylphenyl)piperazine
Synonyms
4-(4-benzenesulfonylphenyl)piperazine; CHEMBL211577; 1-[4-(benzenesulfonyl)phenyl]piperazine; AC1NOI8E; SCHEMBL4573254; 4-(1-Piperazinyl)diphenyl sulfone; ZINC3716178; BDBM50193458; AKOS025215167; MCULE-7301402628
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) 302.4
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H18N2O2S
IUPAC Name
1-[4-(benzenesulfonyl)phenyl]piperazine
Canonical SMILES
C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2S/c19-21(20,15-4-2-1-3-5-15)16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChIKey
SZAOHADKAZDUGT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5113605
TTD ID
D0C8UV

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 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 6 receptor (HTR6) DTT HTR6 1.23E-05 -0.12 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Binding of sulfonyl-containing arylalkylamines at human 5-HT6 serotonin receptors. J Med Chem. 2006 Aug 24;49(17):5217-25.