Details of the Drug

General Information of Drug (ID: DM6QULO)

Drug Name
1-Butyl-4-(2-methoxy-phenyl)-piperazine
Synonyms CHEMBL26789; 1-Butyl-4-(2-methoxy-phenyl)-piperazine; Oprea1_525926; SCHEMBL10414460; ZINC13738286; BDBM50039791; AKOS008298691
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) 248.36
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H24N2O
IUPAC Name
1-butyl-4-(2-methoxyphenyl)piperazine
Canonical SMILES
CCCCN1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
InChIKey
DCFYVNHQUVKFKK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10354670
TTD ID
D0R5QM

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 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 Structure-activity relationship studies of central nervous system agents. 13. 4-[3-(Benzotriazol-1-yl)propyl]-1-(2-methoxyphenyl)piperazine, a new ... J Med Chem. 1994 Aug 19;37(17):2754-60.