Details of the Drug

General Information of Drug (ID: DMT5S2O)

Drug Name
1-(2-Butoxy-phenyl)-piperazine
Synonyms
CHEMBL9452; Piperazine, 1-(2-butoxyphenyl)-; 106476-37-3; 1-(2-Butoxy-phenyl)-piperazine; ACMC-20ma64; 1-(2-Butoxyphenyl)piperazine; SCHEMBL9319475; CTK0G3319; DTXSID60560817; ZINC25997855; BDBM50017460
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) 234.34
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H22N2O
IUPAC Name
1-(2-butoxyphenyl)piperazine
Canonical SMILES
CCCCOC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
InChIKey
YNPHKRWUIFAKLL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14479837
CAS Number
106476-37-3
TTD ID
D02PLD

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]
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 Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. J Med Chem. 1989 May;32(5):1052-6.