Detailed information for compound 1072773

Basic information

Technical information
  • TDR Targets ID: 1072773
  • Name: 1-[7-(2-dimethylaminopyrimidin-5-yl)-5-pyrimi din-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylur ea
  • MW: 403.44 | Formula: C20H21N9O
  • H donors: 2 H acceptors: 6 LogP: 1.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1cn2c(n1)cc(cc2c1ncccn1)c1cnc(nc1)N(C)C
  • InChi: 1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30)
  • InChiKey: KCCNGWJHGUKZEA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[7-(2-dimethylaminopyrimidin-5-yl)-5-pyrimidin-2-yl-imidazo[1,2-a]pyridin-2-yl]-3-ethyl-urea
  • 1-[7-(2-dimethylamino-5-pyrimidinyl)-5-(2-pyrimidinyl)-2-imidazo[1,2-a]pyridinyl]-3-ethylurea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) DNA gyrase subunit B Starlite/ChEMBL References
Streptococcus pneumoniae ParE Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) Get druggable targets OG5_128755 All targets in OG5_128755
Babesia bovis DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Treponema pallidum DNA gyrase, subunit B (gyrB) Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania donovani mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania infantum mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania major mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium yoelii DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania braziliensis mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium berghei DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium falciparum DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma congolense DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania mexicana mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium vivax DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Chlamydia trachomatis DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Neospora caninum hypothetical protein Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma brucei DNA topoisomerase ii Get druggable targets OG5_128755 All targets in OG5_128755
Theileria parva DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium ulcerans DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium knowlesi DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma brucei gambiense DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi DNA topoisomerase II, alpha isozyme DNA gyrase subunit B   648 aa 659 aa 24.3 %
Giardia lamblia DNA topoisomerase II DNA gyrase subunit B   648 aa 679 aa 24.2 %
Leishmania donovani DNA topoisomerase ii DNA gyrase subunit B   648 aa 657 aa 24.4 %
Trichomonas vaginalis DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 592 aa 23.8 %
Babesia bovis DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 685 aa 23.9 %
Brugia malayi Probable DNA topoisomerase II DNA gyrase subunit B   648 aa 666 aa 23.6 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 676 aa 24.6 %
Entamoeba histolytica DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 666 aa 25.5 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase subunit B   648 aa 634 aa 26.3 %
Onchocerca volvulus DNA gyrase subunit B   648 aa 668 aa 24.0 %
Dictyostelium discoideum DNA topoisomerase II DNA gyrase subunit B   648 aa 645 aa 24.5 %
Schistosoma mansoni DNA topoisomerase II DNA gyrase subunit B   648 aa 669 aa 24.4 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase subunit B   648 aa 634 aa 26.3 %
Loa Loa (eye worm) TOPoisomerase family member DNA gyrase subunit B   648 aa 675 aa 24.4 %
Neospora caninum hypothetical protein DNA gyrase subunit B   648 aa 672 aa 24.7 %
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein DNA gyrase subunit B   648 aa 534 aa 27.0 %
Trypanosoma brucei DNA topoisomerase II beta, putative DNA gyrase subunit B   648 aa 668 aa 23.1 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 660 aa 22.9 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 668 aa 23.2 %
Onchocerca volvulus DNA gyrase subunit B   648 aa 669 aa 24.7 %
Echinococcus multilocularis DNA topoisomerase 2 alpha DNA gyrase subunit B   648 aa 635 aa 24.3 %
Trypanosoma brucei DNA topoisomerase II alpha, putative DNA gyrase subunit B   648 aa 547 aa 22.9 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 548 aa 23.7 %
Leishmania braziliensis DNA topoisomerase ii DNA gyrase subunit B   648 aa 662 aa 24.2 %
Onchocerca volvulus Ectoderm-expressed 4 homolog DNA gyrase subunit B   648 aa 584 aa 25.9 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 676 aa 24.6 %
Toxoplasma gondii DNA topoisomerase 2, putative DNA gyrase subunit B   648 aa 666 aa 24.5 %
Echinococcus granulosus DNA topoisomerase 2 alpha DNA gyrase subunit B   648 aa 635 aa 24.3 %
Leishmania infantum DNA topoisomerase ii DNA gyrase subunit B   648 aa 657 aa 24.4 %
Leishmania major DNA topoisomerase ii DNA gyrase subunit B   648 aa 658 aa 24.3 %
Theileria parva DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 678 aa 22.9 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase subunit B   648 aa 548 aa 23.7 %
Leishmania mexicana DNA topoisomerase ii DNA gyrase subunit B   648 aa 657 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax DNA topoisomerase II, putative 0.0071 0.1576 0.1847
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.028 0.0596
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0022 0.0104 0.0104
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0022 0.0104 0.0104
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.028 0.0596
Trypanosoma brucei DNA topoisomerase ii 0.0177 0.4701 1
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0022 0.0104 0.0659
Trypanosoma brucei DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Loa Loa (eye worm) hypothetical protein 0.0028 0.028 0.1776
Mycobacterium ulcerans DNA topoisomerase I 0.0022 0.0104 0.0122
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0022 0.0104 0.0659
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0177 0.4701 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.005 0.0927 0.1972
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.005 0.0927 0.1972
Trypanosoma cruzi DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Plasmodium falciparum DNA topoisomerase 2 0.0071 0.1576 0.1847
Loa Loa (eye worm) hypothetical protein 0.005 0.0927 0.5883
Trypanosoma cruzi DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Brugia malayi DNA topoisomerase III beta-1 0.0022 0.0104 0.0659
Trypanosoma brucei DNA topoisomerase II beta, putative 0.005 0.0927 0.1972
Brugia malayi GRF zinc finger family protein 0.0022 0.0104 0.0659
Chlamydia trachomatis DNA gyrase subunit B 0.02 0.5407 0.6292
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0022 0.0104 0.0122
Trypanosoma cruzi DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0306 0.8532 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0071 0.1576 1
Toxoplasma gondii DNA topoisomerase family protein 0.0022 0.0104 0.0221
Loa Loa (eye worm) DNA topoisomerase III 0.0022 0.0104 0.0659
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0105 0.258 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0927 0.5883
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0022 0.0104 0.0104
Leishmania major DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Trypanosoma cruzi DNA topoisomerase II, putative 0.005 0.0927 0.1972
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.028 0.0596
Echinococcus multilocularis rho GTPase activating protein 20 0.0022 0.0104 0.0104
Leishmania major hypothetical protein, conserved 0.0028 0.028 0.0596
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.028 0.0328
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0022 0.0104 0.0221
Brugia malayi hypothetical protein 0.0028 0.028 0.1776
Leishmania major mitochondrial DNA topoisomerase II 0.0177 0.4701 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0071 0.1576 1
Trypanosoma brucei DNA topoisomerase IA, putative 0.0022 0.0104 0.0221
Giardia lamblia DNA topoisomerase III 0.0022 0.0104 0.0804
Trichomonas vaginalis DNA topoisomerase II, putative 0.0071 0.1576 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0306 0.8532 1
Giardia lamblia DNA topoisomerase III 0.0022 0.0104 0.0804
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.028 0.0328
Loa Loa (eye worm) hypothetical protein 0.0049 0.09 0.5709
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0071 0.1576 0.1576
Loa Loa (eye worm) hypothetical protein 0.0033 0.0443 0.2809
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.09 0.5709
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0022 0.0104 0.0659
Entamoeba histolytica DNA topoisomerase III, putative 0.0022 0.0104 0.0659
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0022 0.0104 0.0104
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0443 0.2809
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0022 0.0104 0.0104
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.09 0.5709
Brugia malayi Probable DNA topoisomerase II 0.0071 0.1576 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0177 0.4701 1
Leishmania major DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Chlamydia trachomatis DNA gyrase subunit B 0.0306 0.8532 1
Treponema pallidum DNA topoisomerase I (topA) 0.0022 0.0104 0.0122
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0306 0.8532 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0306 0.8532 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0022 0.0104 0.0221
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0071 0.1576 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0071 0.1576 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0022 0.0104 0.0659
Brugia malayi DNA topoisomerase III 0.0022 0.0104 0.0659
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.09 0.5709
Plasmodium falciparum DNA gyrase subunit B 0.0306 0.8532 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0071 0.1576 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.028 0.0328
Loa Loa (eye worm) TOPoisomerase family member 0.0071 0.1576 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0306 0.8532 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0022 0.0104 0.0221
Plasmodium vivax DNA topoisomerase 3, putative 0.0022 0.0104 0.0122
Giardia lamblia DNA topoisomerase II 0.0062 0.1291 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0071 0.1576 0.1576
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0071 0.1576 1
Leishmania major DNA topoisomerase ii 0.005 0.0927 0.1972
Toxoplasma gondii DNA topoisomerase 2, putative 0.0071 0.1576 0.3353
Schistosoma mansoni hypothetical protein 0.0033 0.0443 0.0443
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0177 0.4701 1
Plasmodium falciparum DNA topoisomerase 3, putative 0.0022 0.0104 0.0122
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.028 0.0596
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0022 0.0104 0.0221
Schistosoma mansoni DNA topoisomerase II 0.0071 0.1576 0.1576
Leishmania major DNA topoisomerase 1A 0.0022 0.0104 0.0221

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.137 uM Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay ChEMBL. 19683922
IC50 (binding) = 0.611 uM Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins ChEMBL. 19683922

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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