Detailed information for compound 1732497

Basic information

Technical information
  • TDR Targets ID: 1732497
  • Name: 1-(2,3-Dimethylphenyl)piperazine
  • MW: 190.285 | Formula: C12H18N2
  • H donors: 1 H acceptors: 0 LogP: 2.12 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c(C)cccc1N1CCNCC1
  • InChi: 1S/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
  • InChiKey: LIKXJDINUMWKQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1013-22-5
  • 1-(2,3-Xylyl)piperazine
  • EINECS 213-794-0
  • Piperazine, 1-(2,3-dimethylphenyl)-
  • SBB003652
  • 1-(2,3-Dimethylphenyl)-piperazine
  • PDSP1_000003
  • PDSP2_000003

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0637 0.2614 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Schistosoma mansoni lim domain 0.002 0.0003 0.0005
Loa Loa (eye worm) AGC/MAST/MAST protein kinase 0.0029 0.0042 0.0042
Onchocerca volvulus 0.0029 0.0042 0.0131
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Entamoeba histolytica PH domain containing protein kinase, putative 0.0637 0.2614 0.5
Loa Loa (eye worm) hypothetical protein 0.0637 0.2614 0.2614
Echinococcus multilocularis PKC activated phosphatase 1 inhibitor 0.015 0.0554 0.0898
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.2614 0.4239
Echinococcus multilocularis rho associated protein kinase 0.0773 0.3188 0.517
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.002 0.0003 0.0005
Leishmania major protein kinase A catalytic subunit 0.0637 0.2614 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.2614 0.4239
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0637 0.2614 0.5
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Echinococcus multilocularis microtubule associated serine:threonine protein 0.0029 0.0042 0.0068
Onchocerca volvulus 0.0763 0.3146 0.9869
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.2384 1 1
Brugia malayi hypothetical protein 0.015 0.0554 0.0554
Leishmania major protein kinase A catalytic subunit isoform 1 0.0637 0.2614 0.5
Echinococcus multilocularis dual specificity testis specific protein kinase 0.1477 0.6167 1
Schistosoma mansoni protein kinase 0.1477 0.6167 1
Echinococcus granulosus rho-associated protein kinase 1 0.0773 0.3188 0.517
Loa Loa (eye worm) AGC/PKA protein kinase 0.0637 0.2614 0.2614
Schistosoma mansoni protein phosphatase 1 inhibitor potentiated by protein kinase C 0.015 0.0554 0.0898
Onchocerca volvulus 0.015 0.0554 0.1737
Trichomonas vaginalis AGC family protein kinase 0.0637 0.2614 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0773 0.3188 0.517
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0637 0.2614 0.5
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0637 0.2614 0.5
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0029 0.0042 0.0068
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Schistosoma mansoni MAGUK homolog 0.0029 0.0042 0.0068
Onchocerca volvulus 0.0773 0.3188 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0029 0.0042 0.0068
Loa Loa (eye worm) hypothetical protein 0.015 0.0554 0.0554
Toxoplasma gondii AGC kinase 0.0637 0.2614 0.5
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0627 0.2572 0.4171
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.002 0.0003 0.0005
Chlamydia trachomatis tail-specific protease 0.0019 0 0.5
Echinococcus granulosus Microtubule-associated serine/threonine-protein kinase 0.0029 0.0042 0.0068
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0627 0.2572 0.4171
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0637 0.2614 0.5
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0637 0.2614 0.5
Toxoplasma gondii AGC kinase 0.0637 0.2614 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0637 0.2614 0.4239
Schistosoma mansoni pdz and lim domain protein 0.002 0.0003 0.0005
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0637 0.2614 0.5
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0637 0.2614 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0637 0.2614 0.5
Echinococcus granulosus dual specificity testis-specific protein kinase 0.1477 0.6167 1
Echinococcus granulosus PKC activated phosphatase 1 inhibitor 0.015 0.0554 0.0898
Leishmania major protein kinase A catalytic subunit isoform 2 0.0637 0.2614 0.5
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0637 0.2614 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.2614 0.4239
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0637 0.2614 0.2614
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0637 0.2614 0.5
Schistosoma mansoni protein kinase 0.1477 0.6167 1
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.002 0.0003 0.0005
Loa Loa (eye worm) AGC/PKA protein kinase 0.0637 0.2614 0.2614
Giardia lamblia Kinase, AGC PKA 0.0637 0.2614 0.5
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.002 0.0003 0.0005

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.27 Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis ChEMBL. 23517028

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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