Detailed information for compound 1522073

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.172 | Formula: C12H14Cl2N4
  • H donors: 1 H acceptors: 2 LogP: 2.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nc2ccccc2nc1N1CCNCC1.Cl
  • InChi: 1S/C12H13ClN4.ClH/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11;/h1-4,14H,5-8H2;1H
  • InChiKey: XWOBHNWWNMXEOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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