Details of the Drug

General Information of Drug (ID: DM3M4RA)

Drug Name
1-(2-Methoxy-phenyl)-piperazine
Synonyms
1-(2-Methoxyphenyl)piperazine; 35386-24-4; 1-(o-Methoxyphenyl)piperazine; 1-(2-Methoxyphenyl)-piperazine; 2-MPP; UNII-81NJO1330A; N-(2-methoxyphenyl)piperazine; 1-(2-methoxy phenyl) piperazine; Piperazine, 1-(2-methoxyphenyl)-; 2-methoxyphenylpiperazine; 1-(2-METHOXYPHENYL) PIPERAZINE; CHEMBL9666; VNZLQLYBRIOLFZ-UHFFFAOYSA-N; 81NJO1330A; MFCD00005958; 1-(2-methoxyphenyl)piperazinehydrochloride; 2-methoxy-1-piperazinylbenzene; 1-(2-Methoxyphenyl)piperazine, 98+%; 1-(2-methoxyphenyl)piperazin
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) 192.26
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H16N2O
IUPAC Name
1-(2-methoxyphenyl)piperazine
Canonical SMILES
COC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
VNZLQLYBRIOLFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1346
ChEBI ID
CHEBI:104020
CAS Number
35386-24-4
TTD ID
D0V4RP

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 [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [3]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [4]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [5]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Agonist [6]
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [2]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [2]
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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 280).
2 Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. J Med Chem. 1991 Jun;34(6):1850-4.
3 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.
4 Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. J Med Chem. 1986 May;29(5):630-4.
5 1-(1-Naphthyl)piperazine as a novel template for 5-HT6 serotonin receptor ligands. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1707-11.
6 Molecular cloning and expression of a 5-hydroxytryptamine7 serotonin receptor subtype. J Biol Chem. 1993 Aug 25;268(24):18200-4.