Details of the Drug

General Information of Drug (ID: DMS192I)

Drug Name
1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine
Synonyms CHEMBL596801; 1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine; SCHEMBL3453749; IIFAQXPNYXJBMU-UHFFFAOYSA-N; BDBM50308027
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) 282.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H22N2O2S
IUPAC Name
1-(3-methylsulfonylphenyl)-4-propylpiperazine
Canonical SMILES
CCCN1CCN(CC1)C2=CC(=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
InChIKey
IIFAQXPNYXJBMU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11529282
TTD ID
D0X3JB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_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
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabi... J Med Chem. 2010 Mar 25;53(6):2510-20.