Details of the Drug

General Information of Drug (ID: DMCADRI)

Drug Name
1-(2-Methoxy-phenyl)-4-propyl-piperazine
Synonyms
1-(2-methoxyphenyl)-4-propylpiperazine; CHEMBL92887; 1-(2-Methoxy-phenyl)-4-propyl-piperazine; AC1L8ZT0; Oprea1_562540; SCHEMBL3261221; MolPort-009-059-633; ZINC1663859; BDBM50039783; AKOS034319760; MCULE-3739556252; Z432755564
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) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H22N2O
IUPAC Name
1-(2-methoxyphenyl)-4-propylpiperazine
Canonical SMILES
CCCN1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17-2/h4-7H,3,8-12H2,1-2H3
InChIKey
CXGGCNYHKKNQGW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
410747
ChEBI ID
CHEMBL92887
TTD ID
D03PAH
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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]
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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
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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.