Detailed information for compound 1793565

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.316 | Formula: C21H21Cl2N3O2
  • H donors: 0 H acceptors: 2 LogP: 5.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccccc1OCCCN(C)C)/c1noc2c1cc(Cl)cc2.Cl
  • InChi: 1S/C21H20ClN3O2.ClH/c1-25(2)10-5-11-26-19-7-4-3-6-15(19)12-16(14-23)21-18-13-17(22)8-9-20(18)27-24-21;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;1H/b16-12+;
  • InChiKey: UUJHLQLLVMSXPR-CLNHMMGSSA-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
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0039 0.0057
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.1263 0.8267
Schistosoma mansoni pyruvate dehydrogenase 0.0132 0.1527 0.3091
Echinococcus multilocularis protein C ets 2 0.0011 0.0039 0.0039
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1263 0.4839
Leishmania major developmentally regulated phosphoprotein-like protein 0.0132 0.1527 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0053 0.0565 0.9631
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0668 0.1352
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0132 0.1527 0.1527
Loa Loa (eye worm) phosphofructokinase 0.011 0.1263 0.4839
Trypanosoma brucei developmentally regulated phosphoprotein 0.0132 0.1527 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0232
Brugia malayi 6-phosphofructokinase 0.011 0.1263 0.4839
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0587 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0039 0.0039
Echinococcus multilocularis hedgehog 0.0563 0.6817 0.6817
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.106 0.2146
Loa Loa (eye worm) hypothetical protein 0.0013 0.0066 0.0254
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0149
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0044 0.0044
Schistosoma mansoni ets-related 0.022 0.2609 0.5281
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0018 0.0137 0.1084
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.022 0.1437
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.106 0.106
Schistosoma mansoni gabp alpha 0.0072 0.0799 0.1617
Brugia malayi Ets-domain containing protein 0.0072 0.0799 0.3063
Loa Loa (eye worm) hypothetical protein 0.0062 0.067 0.2568
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.022 0.7969
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0018 0.0137 0.1084
Brugia malayi hypothetical protein 0.0025 0.022 0.0841
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0039 0.0039
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0275 0.2182
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0046 0.0475 0.3113
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1263 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.022 0.3739
Echinococcus multilocularis lamin dm0 0.0026 0.0234 0.0234
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Echinococcus granulosus intermediate filament protein 0.0026 0.0234 0.0343
Schistosoma mansoni hypothetical protein 0.0011 0.0039 0.0079
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.1263 1
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0225 0.0225
Schistosoma mansoni cpg binding protein 0.0031 0.0288 0.0582
Schistosoma mansoni hypothetical protein 0.0011 0.0039 0.0079
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0007 0 0.5
Brugia malayi CXXC zinc finger family protein 0.0029 0.0267 0.1025
Leishmania major ATP-dependent phosphofructokinase 0.011 0.1263 0.8267
Echinococcus granulosus lamin 0.0026 0.0234 0.0343
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0799 0.3063
Schistosoma mansoni hypothetical protein 0.0011 0.0049 0.0099
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0275 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1263 1
Brugia malayi Fli-1 protein 0.022 0.2609 1
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.1263 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1263 1
Schistosoma mansoni hypothetical protein 0.041 0.4941 1
Schistosoma mansoni pyruvate dehydrogenase 0.0124 0.1437 0.2909
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1263 0.2555
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0275 1
Echinococcus granulosus glutamate receptor 2 0.0011 0.0044 0.0064
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.1263 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0799 0.0799
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0044 0.0064
Echinococcus multilocularis musashi 0.0026 0.0234 0.0234
Echinococcus multilocularis ets variant gene 4 0.0011 0.0039 0.0039
Brugia malayi Ets-domain containing protein 0.0072 0.0799 0.3063
Loa Loa (eye worm) fli-1 protein 0.022 0.2609 1
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0039 0.0057
Schistosoma mansoni hypothetical protein 0.0175 0.2063 0.4176
Echinococcus granulosus Desert hedgehog protein 0.0563 0.6817 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.1527 0.5853
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0011 0.0044 0.0064
Echinococcus multilocularis geminin 0.0175 0.2063 0.2063
Schistosoma mansoni lamin 0.0026 0.0234 0.0474
Chlamydia trachomatis glutamine binding protein 0.0018 0.0137 0.4968
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0225 0.0331
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0007 0 0.5
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0275 1
Schistosoma mansoni pyruvate dehydrogenase 0.0124 0.1437 0.2909
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.106 0.2146
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0039 0.0079
Schistosoma mansoni ets 0.0011 0.0039 0.0079
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0149
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0049 0.0072
Echinococcus multilocularis lamin 0.0026 0.0234 0.0234
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.022 0.7969
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0275 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.1263 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0018 0.0137 0.1084
Echinococcus multilocularis glutamate receptor 2 0.0011 0.0044 0.0044
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0275 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0132 0.1527 0.224
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0039 0.0057
Brugia malayi kinase, mitochondrial precursor 0.0132 0.1527 0.5853
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1263 1
Echinococcus granulosus geminin 0.0175 0.2063 0.3027
Brugia malayi hypothetical protein 0.0016 0.011 0.0421
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0049 0.0049
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.022 0.1437
Brugia malayi Hint module family protein 0.0153 0.1786 0.6845
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0018 0.0137 0.1084
Brugia malayi intermediate filament protein 0.0026 0.0234 0.0897
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0039 0.0149
Echinococcus granulosus lamin dm0 0.0026 0.0234 0.0343
Echinococcus granulosus protein C ets 2 0.0011 0.0039 0.0057
Echinococcus granulosus 6 phosphofructokinase 0.011 0.1263 0.1852
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0039 0.0039
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0275 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.106 0.4064
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.022 0.1437
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0012 0.006 0.0232
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.1263 0.1263
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0044 0.0044
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0228 0.0874
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0275 0.4692
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.1263 0.8267
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0039 0.0057
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.022 0.7969
Loa Loa (eye worm) hypothetical protein 0.0153 0.1786 0.6845
Brugia malayi Ets-domain containing protein 0.0011 0.0039 0.0149
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0019 0.0074
Schistosoma mansoni cpg binding protein 0.0029 0.0267 0.0541
Leishmania major hypothetical protein, conserved 0.0025 0.022 0.1437
Brugia malayi Hint module family protein 0.0153 0.1786 0.6845
Onchocerca volvulus 0.0029 0.0267 1
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1263 0.2555
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1263 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0234 0.0897
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0799 0.1172
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0275 0.2182
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0275 0.4692
Loa Loa (eye worm) hypothetical protein 0.0153 0.1786 0.6845
Schistosoma mansoni ets-related 0.0011 0.0039 0.0079
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0039 0.0149
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0021 0.0079
Onchocerca volvulus 0.0026 0.0234 0.8752
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0044 0.0044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.106 0.1556
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0039 0.0149
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0039 0.0149
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0039 0.0039
Echinococcus multilocularis cpg binding protein 0.0031 0.0288 0.0288
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1263 0.4839
Schistosoma mansoni elf1 0.0011 0.0039 0.0079
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0044 0.0064
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0275 1
Schistosoma mansoni cpg binding protein 0.0031 0.0288 0.0582
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0066 0.0097
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0044 0.0064
Schistosoma mansoni lamin 0.0026 0.0234 0.0474
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0084 0.032
Loa Loa (eye worm) hypothetical protein 0.0025 0.022 0.0841
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0046 0.0475 0.8098
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0046 0.0475 0.3113
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0039 0.0057
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0039 0.0149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.106 0.2146
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0039 0.0057
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1263 1
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0007 0 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0234 0.0897
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0234 0.0897
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.106 0.4064
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0018 0.0137 0.4968
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0132 0.1527 0.1527
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.106 0.1556
Brugia malayi transcription factor E74 isoform 0.0011 0.0039 0.0149
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0039 0.0039
Onchocerca volvulus 0.0026 0.0234 0.8752
Schistosoma mansoni hypothetical protein 0.0175 0.2063 0.4176
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0132 0.1527 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0267 0.1025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.106 0.106
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0046 0.0475 0.3113
Brugia malayi 6-phosphofructokinase 0.011 0.1263 0.4839
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0084 0.032
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0234 0.0897
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1263 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0011 0.0044 0.0044
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0275 0.2182
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0066 0.0066
Brugia malayi phosphofructokinase 0.011 0.1263 0.4839
Echinococcus granulosus cpg binding protein 0.0031 0.0288 0.0422
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0021
Schistosoma mansoni glutamate receptor NMDA 0.0011 0.0044 0.0089
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0275 0.4692
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0039 0.0039
Schistosoma mansoni intermediate filament proteins 0.0026 0.0234 0.0474
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0275 0.2182

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.
 
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

No literature references available for this target.

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