Details of the Drug

General Information of Drug (ID: DMTVPZC)

Drug Name
1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine
Synonyms CHEMBL214004; 1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine; SCHEMBL7967173
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) 267.37
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H21N3
IUPAC Name
1-(1-phenyl-2-pyridin-4-ylethyl)piperazine
Canonical SMILES
C1CN(CCN1)C(CC2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3/c1-2-4-16(5-3-1)17(20-12-10-19-11-13-20)14-15-6-8-18-9-7-15/h1-9,17,19H,10-14H2
InChIKey
QVONDVLKKQSPCH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44414874
TTD ID
D07TEJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serotonin transporter (SERT) TT3ROYC SC6A4_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
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4349-53.