Detailed information for compound 418219

Basic information

Technical information
  • TDR Targets ID: 418219
  • Name: 1-ethyl-3-[4-(3-fluoropyridin-2-yl)-6-pyridin -3-yl-1H-benzimidazol-2-yl]urea
  • MW: 376.387 | Formula: C20H17FN6O
  • H donors: 3 H acceptors: 4 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1[nH]c2c(n1)cc(cc2c1ncccc1F)c1cccnc1
  • InChi: 1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
  • InChiKey: ASLMIDYEWPPSGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-3-[4-(3-fluoro-2-pyridyl)-6-(3-pyridyl)-1H-benzimidazol-2-yl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus DNA gyrase Starlite/ChEMBL References
Escherichia coli DNA gyrase (type II topoisomerase), subunit A Starlite/ChEMBL References
Escherichia coli DNA gyrase, subunit B References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans DNA gyrase subunit B 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
Leishmania donovani 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
Trypanosoma congolense DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) Get druggable targets OG5_129568 All targets in OG5_129568
Leishmania infantum mitochondrial DNA topoisomerase II 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
Theileria parva DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
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
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing 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
Plasmodium knowlesi DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Chlamydia trachomatis DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium falciparum DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Treponema pallidum DNA gyrase, subunit A (gyrA) Get druggable targets OG5_129568 All targets in OG5_129568
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
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
Chlamydia trachomatis DNA gyrase subunit B 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
Plasmodium vivax DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium knowlesi DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Babesia bovis DNA gyrase A subunit, putative Get druggable targets OG5_129568 All targets in OG5_129568
Leishmania major mitochondrial DNA topoisomerase II 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 cruzi mitochondrial DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium berghei DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium vivax DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Neospora caninum DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium falciparum DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Neospora caninum hypothetical protein 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
Leishmania mexicana mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium berghei DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium yoelii DNA gyrase subunit a-related Get druggable targets OG5_129568 All targets in OG5_129568
Mycobacterium ulcerans DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
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
Loa Loa (eye worm) TOPoisomerase family member DNA gyrase   644 aa 668 aa 26.2 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 678 aa 22.9 %
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) DNA gyrase   644 aa 661 aa 53.0 %
Trypanosoma brucei DNA topoisomerase ii DNA gyrase   644 aa 619 aa 25.7 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase   644 aa 674 aa 23.0 %
Leishmania mexicana mitochondrial DNA topoisomerase II DNA gyrase   644 aa 620 aa 23.4 %
Entamoeba histolytica DNA topoisomerase II, putative DNA gyrase   644 aa 544 aa 25.0 %
Chlamydia trachomatis DNA gyrase subunit B DNA gyrase   644 aa 561 aa 55.3 %
Echinococcus multilocularis DNA topoisomerase 2 alpha DNA gyrase   644 aa 612 aa 25.8 %
Toxoplasma gondii DNA topoisomerase 2, putative DNA gyrase   644 aa 664 aa 24.1 %
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) DNA gyrase   644 aa 667 aa 53.1 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 617 aa 24.8 %
Brugia malayi Probable DNA topoisomerase II DNA gyrase   644 aa 672 aa 25.9 %
Schistosoma mansoni DNA topoisomerase II DNA gyrase   644 aa 633 aa 24.3 %
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative DNA gyrase   644 aa 615 aa 22.6 %
Trypanosoma brucei DNA topoisomerase II alpha, putative DNA gyrase   644 aa 676 aa 23.4 %
Babesia bovis DNA topoisomerase II, putative DNA gyrase   644 aa 587 aa 22.7 %
Leishmania donovani DNA topoisomerase ii DNA gyrase   644 aa 666 aa 23.4 %
Plasmodium berghei DNA gyrase subunit B, putative DNA gyrase   644 aa 662 aa 36.3 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase   644 aa 676 aa 23.4 %
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB DNA gyrase   644 aa 561 aa 50.4 %
Leishmania mexicana DNA topoisomerase ii DNA gyrase   644 aa 668 aa 23.1 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase   644 aa 625 aa 25.6 %
Theileria parva DNA gyrase subunit B, putative DNA gyrase   644 aa 638 aa 37.1 %
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein DNA gyrase   644 aa 548 aa 25.7 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase   644 aa 674 aa 23.0 %
Onchocerca volvulus DNA gyrase   644 aa 618 aa 26.5 %
Trypanosoma brucei DNA topoisomerase II beta, putative DNA gyrase   644 aa 570 aa 24.0 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase   644 aa 666 aa 23.4 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase   644 aa 619 aa 25.7 %
Onchocerca volvulus Ectoderm-expressed 4 homolog DNA gyrase   644 aa 673 aa 24.1 %
Leishmania braziliensis mitochondrial DNA topoisomerase II DNA gyrase   644 aa 622 aa 23.8 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase   644 aa 625 aa 25.6 %
Leishmania infantum DNA topoisomerase ii DNA gyrase   644 aa 666 aa 23.6 %
Leishmania infantum mitochondrial DNA topoisomerase II DNA gyrase   644 aa 624 aa 23.2 %
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative DNA gyrase   644 aa 615 aa 22.6 %
Mycobacterium ulcerans DNA gyrase subunit B DNA gyrase   644 aa 663 aa 54.0 %
Neospora caninum hypothetical protein DNA gyrase   644 aa 693 aa 24.1 %
Plasmodium knowlesi DNA gyrase subunit B, putative DNA gyrase   644 aa 517 aa 36.0 %
Brugia malayi DNA topoisomerase II, alpha isozyme DNA gyrase   644 aa 659 aa 24.3 %
Echinococcus granulosus DNA topoisomerase 2 alpha DNA gyrase   644 aa 613 aa 25.9 %
Plasmodium falciparum DNA topoisomerase 2 DNA gyrase   644 aa 647 aa 23.2 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 678 aa 22.7 %
Theileria parva DNA topoisomerase II, putative DNA gyrase   644 aa 683 aa 23.9 %
Dictyostelium discoideum DNA topoisomerase II DNA gyrase   644 aa 655 aa 23.8 %
Leishmania braziliensis DNA topoisomerase ii DNA gyrase   644 aa 675 aa 23.0 %
Leishmania major DNA topoisomerase ii DNA gyrase   644 aa 672 aa 23.4 %
Leishmania major mitochondrial DNA topoisomerase II DNA gyrase   644 aa 624 aa 23.1 %
Leishmania donovani mitochondrial DNA topoisomerase II DNA gyrase   644 aa 624 aa 23.2 %
Onchocerca volvulus DNA gyrase   644 aa 624 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.009 0.0228 0.1065
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma cruzi cysteine proteinase, putative 0.0084 0.0066 0.0228
Onchocerca volvulus 0.0158 0.2054 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0108 0.073 0.0235
Trypanosoma cruzi cruzipain precursor, putative 0.0158 0.2054 0.713
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0161 0.2142 0.7433
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0107 0.0698 0.2424
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0158 0.2054 0.2002
Schistosoma mansoni cathepsin F (C01 family) 0.0107 0.0698 0.2424
Echinococcus multilocularis cysteine protease 0.0158 0.2054 0.7063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0066 0.0307
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Loa Loa (eye worm) TOPoisomerase family member 0.0108 0.073 0.2535
Brugia malayi Probable DNA topoisomerase II 0.0108 0.073 0.2361
Echinococcus granulosus cathepsin l cysteine peptidase 0.0158 0.2054 0.7063
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0066 0.0228
Giardia lamblia DNA topoisomerase II 0.01 0.051 1
Schistosoma mansoni DNA topoisomerase II 0.0108 0.073 0.2535
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0158 0.2054 0.2002
Echinococcus granulosus cathepsin b 0.0189 0.2881 1
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0454 1 1
Echinococcus granulosus cathepsin l1 0.0158 0.2054 0.7063
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0108 0.073 0.3342
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0158 0.2054 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0108 0.073 0.0235
Onchocerca volvulus Cathepsin F homolog 0.0158 0.2054 1
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Loa Loa (eye worm) fibroinase 0.0158 0.2054 0.713
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Brugia malayi Cathepsin L-like cysteine proteinase 0.0107 0.0698 0.2247
Loa Loa (eye worm) hypothetical protein 0.0158 0.2054 0.713
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0108 0.073 0.2361
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.2054 0.713
Plasmodium vivax DNA gyrase subunit A, putative 0.0454 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.2881 1
Echinococcus granulosus cathepsin b 0.0189 0.2881 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0189 0.2881 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0108 0.073 0.2361
Onchocerca volvulus 0.0158 0.2054 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0698 0.2424
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Echinococcus multilocularis cathepsin b 0.0189 0.2881 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Onchocerca volvulus 0.0158 0.2054 1
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Schistosoma mansoni cathepsin F (C01 family) 0.0158 0.2054 0.713
Plasmodium vivax DNA topoisomerase II, putative 0.0108 0.073 0.0669
Leishmania major mitochondrial DNA topoisomerase II 0.0161 0.2142 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0454 1 1
Leishmania major DNA topoisomerase ii 0.009 0.0228 0.1065
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma brucei DNA topoisomerase ii 0.0161 0.2142 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.2881 1
Brugia malayi cathepsin L-like precursor 0.0107 0.0698 0.2247
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Echinococcus multilocularis cysteine protease 0.0158 0.2054 0.7063
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0158 0.2054 0.713
Trypanosoma cruzi DNA topoisomerase II, putative 0.009 0.0228 0.0791
Trypanosoma cruzi cysteine protease, putative 0.0084 0.0066 0.0228
Toxoplasma gondii cathepsin CPL 0.0158 0.2054 0.2054
Loa Loa (eye worm) hypothetical protein 0.0107 0.0698 0.2424
Loa Loa (eye worm) ctsf protein 0.0158 0.2054 0.713
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0158 0.2054 0.7063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Entamoeba histolytica cysteine proteinase, putative 0.0158 0.2054 1
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.2054 0.713
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0114 0.0877 0.0877
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0084 0.0066 0.0228
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Plasmodium vivax vivapain-2 0.0158 0.2054 0.2002
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0108 0.073 0.2361
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0066 0.032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.2881 1
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Echinococcus granulosus cathepsin L cysteine proteinase 0.0158 0.2054 0.7063
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0158 0.2054 0.713
Brugia malayi Cathepsin L-like precursor 0.0107 0.0698 0.2247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0161 0.2142 0.7433
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.2054 0.713
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Onchocerca volvulus 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0066 0.032
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.2054 0.713
Echinococcus granulosus cathepsin l1 0.0107 0.0698 0.2247
Onchocerca volvulus Cathepsin L homolog 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Onchocerca volvulus 0.0158 0.2054 1
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0454 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0107 0.0698 0.34
Trypanosoma cruzi cysteine proteinase, putative 0.0084 0.0066 0.0228
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0158 0.2054 0.2002
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0158 0.2054 0.7063
Echinococcus multilocularis cathepsin L cysteine protease 0.0158 0.2054 0.7063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Schistosoma mansoni cathepsin F (C01 family) 0.0158 0.2054 0.713
Brugia malayi Cathepsin L-like precursor 0.0107 0.0698 0.2247
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Onchocerca volvulus 0.0158 0.2054 1
Brugia malayi Cathepsin L-like precursor 0.0158 0.2054 0.7063
Trypanosoma cruzi DNA topoisomerase II, putative 0.009 0.0228 0.0791
Plasmodium vivax DNA gyrase subunit B, putative 0.0224 0.3843 0.3802
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0084 0.0066 0.0228
Loa Loa (eye worm) hypothetical protein 0.0107 0.0698 0.2424
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Plasmodium falciparum DNA topoisomerase 2 0.0108 0.073 0.0669
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0158 0.2054 0.9592
Entamoeba histolytica cysteine proteinase, putative 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1
Loa Loa (eye worm) cysteine protease 0.0158 0.2054 0.713
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0189 0.2881 1
Plasmodium vivax vivapain-2 0.0158 0.2054 0.2002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.2881 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.009 0.0228 0.1065
Plasmodium falciparum DNA gyrase subunit B 0.0224 0.3843 0.3802
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Plasmodium falciparum DNA gyrase subunit A 0.0454 1 1
Echinococcus multilocularis cathepsin b 0.0189 0.2881 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0066 0.0307
Onchocerca volvulus Cathepsin L homolog 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0107 0.0698 0.34
Leishmania major cysteine peptidase A (CPA) 0.0158 0.2054 0.9592
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0108 0.073 0.2361
Trichomonas vaginalis DNA topoisomerase II, putative 0.0108 0.073 0.3555
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0084 0.0066 0.0228
Onchocerca volvulus 0.0158 0.2054 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0108 0.073 0.0235
Toxoplasma gondii DNA topoisomerase 2, putative 0.0108 0.073 0.073
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0158 0.2054 1
Entamoeba histolytica cysteine proteinase, putative 0.0107 0.0698 0.3182
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0454 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0158 0.2054 0.7063
Chlamydia trachomatis DNA gyrase subunit B 0.0224 0.3843 0.1865
Mycobacterium ulcerans DNA gyrase subunit A 0.0454 1 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0216 0.3628 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0158 0.2054 0.7063
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0084 0.0066 0.0228
Leishmania major cathepsin L-like protease 0.0158 0.2054 0.9592
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0189 0.2881 1
Entamoeba histolytica cysteine protease, putative 0.0158 0.2054 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0158 0.2054 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Reduction in steady-state levels of supercoiled pUC18 in Escherichia coli CAG12184 tolC mutant ChEMBL. 17116675
Activity (functional) 0 Reduction in steady-state levels of supercoiled pUC18 in Escherichia coli CAG12184 tolC mutant ChEMBL. 17116675
Ki (binding) = 6 nM Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay ChEMBL. 25317480
Ki (binding) = 0.014 uM Inhibition of Staphylococcus aureus DNA gyrase ChEMBL. 18690678
MIC (functional) = 0.002 ug ml-1 Antibacterial activity against novobiocin-resistant Streptococcus pneumoniae ATCC BAA-255 with GyrB S127L mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.004 ug ml-1 Antibacterial activity against Streptococcus pneumoniae ATCC BAA-255 after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.016 ug ml-1 Antibacterial activity against Streptococcus pneumoniae ATCC BAA-255 with ParE T172A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.016 ug ml-1 Antibacterial activity against Streptococcus pneumoniae ATCC BAA-255 with ParE T172I mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.03 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.032 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.032 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 with GyrB T167A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against novobiocin-resistant Staphylococcus aureus ATCC 29213 with GyrB R144I mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 carrying plasmid expressing wild type GyrB ChEMBL. 17116675
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 carrying plasmid expressing GyrB R144I mutant ChEMBL. 17116675
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 without plasmid ChEMBL. 17116675
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB R144I mutation without plasmid ChEMBL. 17116675
MIC (functional) = 0.064 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 with ParE T169A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.064 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 with GyrB T167I mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.13 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 carrying plasmid expressing GyrB T173I mutant ChEMBL. 17116675
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Streptococcus pneumoniae ATCC BAA-255 with GyrB T172A and ParE T172A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 carrying plasmid expressing GyrB T173N mutant ChEMBL. 17116675
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173N mutation without plasmid ChEMBL. 17116675
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173I mutation without plasmid ChEMBL. 17116675
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173N mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173I mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 with GyrB T167A and ParE T169A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 1 ug ml-1 Antibacterial activity against Enterococcus faecalis ATCC 29212 with GyrB T167I and ParE T169A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 1 ug ml-1 Antibacterial activity against Haemophilus influenzae ATCC 51907 after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 1 ug ml-1 Antibacterial activity against novobiocin-resistant Haemophilus influenzae ATCC 51907 with GyrB R140C mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 1 ug ml-1 Antibacterial activity against novobiocin-resistant Haemophilus influenzae ATCC 51907 with GyrB R140H mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 1 ug ml-1 Antibacterial activity against novobiocin-resistant Haemophilus influenzae ATCC 51907 with GyrB R140L mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) = 4 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173I and GrlB T166A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) > 8 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 29213 with GyrB T173N and GrlB T166A mutation after 18 to 20 hrs ChEMBL. 17116675
MIC (functional) > 64 ug ml-1 Antibacterial activity against Haemophilus influenzae ATCC 51907 with GyrB T169I mutation after 18 to 20 hrs ChEMBL. 17116675

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

2 literature references were collected for this gene.

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