Detailed information for compound 512298

Basic information

Technical information
  • TDR Targets ID: 512298
  • Name: 2-chloro-3-(4-methylpiperazin-1-yl)quinoxalin e
  • MW: 262.738 | Formula: C13H15ClN4
  • H donors: 0 H acceptors: 2 LogP: 2.44 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc2ccccc2nc1Cl
  • InChi: 1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
  • InChiKey: FFXVTQDGTKEXHF-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-chloro-3-(4-methyl-1-piperazinyl)quinoxaline
  • 2-chloro-3-(4-methylpiperazino)quinoxaline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H4 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
Echinococcus multilocularis glutamate receptor 2 0.0124 0.2547 0.2504
Echinococcus multilocularis excitatory amino acid transporter 2 0.0249 0.6538 0.6518
Echinococcus granulosus excitatory amino acid transporter 3 0.0249 0.6538 0.6518
Schistosoma mansoni glutamate receptor AMPA 0.0124 0.2547 0.3384
Trichomonas vaginalis set domain proteins, putative 0.0231 0.5952 0.5
Brugia malayi Cache domain containing protein 0.0072 0.0891 0.1363
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0065 0.0681 0.0627
Schistosoma mansoni glutamate receptor NMDA 0.0124 0.2547 0.3384
Echinococcus granulosus glutamate NMDA receptor subunit 0.0124 0.2547 0.2504
Loa Loa (eye worm) hypothetical protein 0.0309 0.8448 1
Brugia malayi hypothetical protein 0.0119 0.2375 0.3633
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.011 0.2116 0.2797
Brugia malayi Glutamate receptor 1 precursor 0.0124 0.2547 0.3896
Brugia malayi Pre-SET motif family protein 0.0203 0.5059 0.7737
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0223 0.5709 0.6759
Treponema pallidum glutamate transporter 0.011 0.2116 0.5
Schistosoma mansoni glutamate receptor kainate 0.0124 0.2547 0.3384
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0152 0.3447 0.3409
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.6538 0.6518
Schistosoma mansoni hypothetical protein 0.0084 0.1274 0.1653
Echinococcus granulosus Excitatory amino acid transporter 0.0249 0.6538 0.6518
Loa Loa (eye worm) glutamate receptor 1 0.0124 0.2547 0.3015
Schistosoma mansoni metabotropic glutamate receptor 0.0065 0.0681 0.0847
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0199 0.4926 0.4896
Echinococcus multilocularis NMDA receptor 0.0199 0.4926 0.4896
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0249 0.6538 0.8808
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0223 0.5709 0.7681
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0249 0.6538 0.6518
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0223 0.5709 0.5685
Echinococcus granulosus glutamate receptor 2 0.0106 0.1985 0.1938
Schistosoma mansoni glutamate receptor AMPA 0.0124 0.2547 0.3384
Echinococcus granulosus leukotriene A 4 hydrolase 0.0223 0.5709 0.5685
Treponema pallidum glutamate/aspartate transporter 0.011 0.2116 0.5
Loa Loa (eye worm) glutamate receptor 0.0074 0.094 0.1112
Loa Loa (eye worm) hypothetical protein 0.0072 0.0891 0.1055
Schistosoma mansoni glutamate receptor kainate 0.0277 0.7415 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.0249 0.6538 0.6518
Echinococcus granulosus neutral amino acid transporter A 0.0249 0.6538 0.6518
Brugia malayi hypothetical protein 0.0103 0.1866 0.2854
Echinococcus granulosus glutamate receptor 2 0.0152 0.3447 0.3409
Echinococcus multilocularis Excitatory amino acid transporter 0.0249 0.6538 0.6518
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus granulosus excitatory amino acid transporter 2 0.0249 0.6538 0.6518
Echinococcus granulosus neutral amino acid transporter 0.0249 0.6538 0.6518
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus multilocularis glutamate receptor 2 0.0152 0.3447 0.3409
Loa Loa (eye worm) hypothetical protein 0.0085 0.1308 0.1549
Schistosoma mansoni metabotropic glutamate receptor 0.0048 0.0122 0.0088
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.6538 0.6518
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0152 0.3447 0.3409
Echinococcus granulosus Excitatory amino acid transporter 0.0249 0.6538 0.6518
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0124 0.2547 0.2504
Echinococcus granulosus neutral amino acid transporter A 0.0249 0.6538 0.6518
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0079 0.1103 0.1421
Echinococcus multilocularis Excitatory amino acid transporter 0.0249 0.6538 0.6518
Brugia malayi Excitatory amino acid transporter 0.0249 0.6538 1
Brugia malayi metabotropic glutamate receptor type 2 0.0048 0.0122 0.0187
Schistosoma mansoni ATP-binding cassette transporter 0.0124 0.2547 0.3384
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0249 0.6538 1
Schistosoma mansoni glutamate receptor kainate 0.0277 0.7415 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0163 0.3782 0.3746
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0305 0.8315 0.8305
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0199 0.4926 0.4896
Echinococcus multilocularis glutamate receptor 2 0.0106 0.1985 0.1938
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.5059 0.5988
Loa Loa (eye worm) glutamate receptor 2 0.0124 0.2547 0.3015
Echinococcus granulosus excitatory amino acid transporter 2 0.0249 0.6538 0.6518
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0249 0.6538 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0358 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.011 0.2116 0.2797
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.011 0.2116 0.207
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0156 0.357 0.4774
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0085 0.1308 0.1258
Schistosoma mansoni glutamate receptor NMDA 0.0152 0.3447 0.4607
Brugia malayi Glutamate receptor 2 precursor 0.0124 0.2547 0.3896
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0199 0.4926 0.4896
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0163 0.3782 0.3746
Loa Loa (eye worm) excitatory amino acid transporter 0.0249 0.6538 0.774
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0249 0.6538 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0065 0.0681 0.0627
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0249 0.6538 0.6518
Echinococcus multilocularis excitatory amino acid transporter 2 0.0249 0.6538 0.6518
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0045 0.004 0.0061
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0057 0.0408 0.0477
Echinococcus multilocularis sodium:dicarboxylate symporter 0.011 0.2116 0.207
Echinococcus multilocularis excitatory amino acid transporter 3 0.0249 0.6538 0.6518
Echinococcus granulosus metabotropic glutamate receptor 5 0.0085 0.1308 0.1258
Schistosoma mansoni serine-rich repeat protein 0.0084 0.1274 0.1653
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0199 0.4926 0.4896
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.6538 0.6518
Chlamydia trachomatis glutamate symporter 0.0249 0.6538 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0074 0.094 0.1437

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -6.64 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells ChEMBL. 18357976
Log Ki (binding) = 6.64 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells ChEMBL. 18357976

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.