Detailed information for compound 1775494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.199 | Formula: C16H12Cl2N4
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)CNc1ccnc(n1)c1cccnc1
  • InChi: 1S/C16H12Cl2N4/c17-13-4-3-11(8-14(13)18)9-21-15-5-7-20-16(22-15)12-2-1-6-19-10-12/h1-8,10H,9H2,(H,20,21,22)
  • InChiKey: ZXJNDVSSCQNDKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
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
Plasmodium falciparum protein serine/threonine kinase-1 0.0073 0.0034 0.0034
Trypanosoma cruzi DNA topoisomerase II, putative 0.0342 0.1351 0.2393
Brugia malayi DNA topoisomerase III 0.0151 0.0414 0.1983
Leishmania major DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Treponema pallidum DNA topoisomerase I (topA) 0.0151 0.0414 0.0414
Echinococcus granulosus metabotropic glutamate receptor 5 0.0119 0.0256 0.1227
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0342 0.1351 0.2393
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0493 0.2089 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0073 0.0034 0.0059
Mycobacterium ulcerans DNA gyrase subunit B 0.2109 1 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0073 0.0034 0.0059
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0151 0.0414 0.1983
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0342 0.1351 0.2393
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.2109 1 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0073 0.0034 0.0034
Echinococcus multilocularis rho GTPase activating protein 20 0.0151 0.0414 0.1983
Trypanosoma cruzi DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Leishmania major protein kinase, putative 0.0073 0.0034 0.0059
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1219 0.5643 1
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0034 0.016
Entamoeba histolytica DNA topoisomerase II, putative 0.0493 0.2089 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0151 0.0414 0.1983
Giardia lamblia DNA topoisomerase II 0.0427 0.1765 1
Brugia malayi Probable DNA topoisomerase II 0.0493 0.2089 1
Plasmodium vivax DNA gyrase subunit B, putative 0.2109 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.2109 1 1
Leishmania major mitochondrial DNA topoisomerase II 0.1219 0.5643 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Toxoplasma gondii DNA topoisomerase family protein 0.0151 0.0414 0.0734
Echinococcus granulosus metabotropic glutamate receptor 2 0.0081 0.0071 0.0339
Trypanosoma cruzi DNA topoisomerase II, putative 0.0342 0.1351 0.2393
Giardia lamblia DNA topoisomerase III 0.0151 0.0414 0.2347
Trypanosoma brucei DNA topoisomerase IA, putative 0.0151 0.0414 0.0734
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0151 0.0414 0.0414
Chlamydia trachomatis DNA gyrase subunit B 0.1383 0.6446 0.6446
Plasmodium vivax DNA topoisomerase II, putative 0.0493 0.2089 0.2089
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.0034 0.0059
Giardia lamblia Kinase, CMGC CLK 0.0073 0.0034 0.019
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0493 0.2089 1
Giardia lamblia DNA topoisomerase III 0.0151 0.0414 0.2347
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0151 0.0414 0.1983
Echinococcus granulosus dual specificity protein kinase clk2 0.0073 0.0034 0.016
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1219 0.5643 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0493 0.2089 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0073 0.0034 0.016
Echinococcus multilocularis 0.0072 0.0031 0.0147
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0493 0.2089 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0087 0.0103 0.0493
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0151 0.0414 0.1983
Loa Loa (eye worm) TOPoisomerase family member 0.0493 0.2089 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Echinococcus multilocularis dual specificity protein kinase clk2 0.0073 0.0034 0.016
Brugia malayi Metabotropic glutamate receptor precursor. 0.0096 0.0147 0.0706
Loa Loa (eye worm) DNA topoisomerase III 0.0151 0.0414 0.1983
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.2109 1 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0151 0.0414 0.1983
Brugia malayi GRF zinc finger family protein 0.0151 0.0414 0.1983
Plasmodium falciparum DNA topoisomerase 2 0.0493 0.2089 0.2089
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0151 0.0414 0.1983
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0493 0.2089 1
Loa Loa (eye worm) glutamate receptor 0.0096 0.0147 0.0706
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0493 0.2089 1
Trichomonas vaginalis CMGC family protein kinase 0.0073 0.0034 0.016
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0151 0.0414 0.0734
Mycobacterium ulcerans DNA topoisomerase I 0.0151 0.0414 0.0414
Entamoeba histolytica DNA topoisomerase III, putative 0.0151 0.0414 0.1983
Plasmodium vivax DNA topoisomerase 3, putative 0.0151 0.0414 0.0414
Trichomonas vaginalis DNA topoisomerase II, putative 0.0493 0.2089 1
Chlamydia trachomatis DNA topoisomerase I 0.0151 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0072 0.0031 0.0147
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1219 0.5643 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0151 0.0414 0.1983
Leishmania major DNA topoisomerase 1A 0.0151 0.0414 0.0734
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0493 0.2089 1
Leishmania major DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0726 0.323 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0151 0.0414 0.1983
Brugia malayi Protein kinase domain containing protein 0.0073 0.0034 0.016
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0151 0.0414 0.0734
Brugia malayi DNA topoisomerase III beta-1 0.0151 0.0414 0.1983
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0151 0.0414 0.1282
Plasmodium falciparum DNA gyrase subunit B 0.2109 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0073 0.0034 0.0059
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0034 0.016
Trypanosoma brucei DNA topoisomerase ii 0.1219 0.5643 1
Leishmania major protein kinase, putative 0.0073 0.0034 0.0059
Schistosoma mansoni metabotropic glutamate receptor 0.0081 0.0071 0.0339
Echinococcus granulosus hypothetical protein 0.0072 0.0031 0.0147
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0151 0.0414 0.0734
Leishmania major DNA topoisomerase ii 0.0342 0.1351 0.2393
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0109 0.0212 0.1015
Plasmodium falciparum DNA topoisomerase 3, putative 0.0151 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0342 0.1351 0.6466
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.0034 0.0059
Toxoplasma gondii DNA topoisomerase 2, putative 0.0493 0.2089 0.3701
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.0034 0.0059
Schistosoma mansoni DNA topoisomerase II 0.0493 0.2089 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0119 0.0256 0.1227
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0151 0.0414 0.1983
Trypanosoma brucei DNA topoisomerase III, putative 0.0151 0.0414 0.0734
Loa Loa (eye worm) hypothetical protein 0.0119 0.0256 0.1227
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.0034 0.0059
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0081 0.0071 0.0339
Loa Loa (eye worm) hypothetical protein 0.0342 0.1351 0.6466

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 uM Inhibition of CLK4 (unknown origin) by bioluminescence assay ChEMBL. 23642479
IC50 (binding) = 41.2 uM Inhibition of DYRK1A (unknown origin) by bioluminescence assay ChEMBL. 23642479

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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