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
CHEMBL9666
CAS Number
35386-24-4
TTD ID
D0V4RP
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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 [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]
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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
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.