Detailed information for compound 1722369

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 504.637 | Formula: C25H29FN2O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F
  • InChi: 1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1
  • InChiKey: USGHRRVFKSLEJT-WVBUVRCRSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus DNA gyrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis DNA gyrase subunit A 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
Plasmodium falciparum DNA gyrase subunit A Get druggable targets OG5_129568 All targets in OG5_129568
Theileria parva 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
Neospora caninum DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Treponema pallidum DNA gyrase, subunit A (gyrA) Get druggable targets OG5_129568 All targets in OG5_129568
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
Plasmodium berghei DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
Plasmodium vivax DNA gyrase subunit A, putative Get druggable targets OG5_129568 All targets in OG5_129568
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
Babesia bovis DNA gyrase A subunit, putative 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
Plasmodium knowlesi DNA gyrase subunit A, putative 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana DNA topoisomerase ii DNA gyrase   644 aa 668 aa 23.1 %
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative DNA gyrase   644 aa 615 aa 22.6 %
Leishmania infantum DNA topoisomerase ii DNA gyrase   644 aa 666 aa 23.6 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase   644 aa 625 aa 25.6 %
Trypanosoma brucei DNA topoisomerase II beta, putative DNA gyrase   644 aa 570 aa 24.0 %
Leishmania braziliensis mitochondrial DNA topoisomerase II DNA gyrase   644 aa 622 aa 23.8 %
Plasmodium berghei DNA gyrase subunit B, putative DNA gyrase   644 aa 662 aa 36.3 %
Plasmodium falciparum DNA topoisomerase 2 DNA gyrase   644 aa 647 aa 23.2 %
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 %
Leishmania mexicana mitochondrial DNA topoisomerase II DNA gyrase   644 aa 620 aa 23.4 %
Chlamydia trachomatis DNA gyrase subunit B DNA gyrase   644 aa 561 aa 55.3 %
Mycobacterium ulcerans DNA gyrase subunit B DNA gyrase   644 aa 663 aa 54.0 %
Echinococcus granulosus DNA topoisomerase 2 alpha DNA gyrase   644 aa 613 aa 25.9 %
Theileria parva DNA gyrase subunit B, putative DNA gyrase   644 aa 638 aa 37.1 %
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 %
Leishmania donovani DNA topoisomerase ii DNA gyrase   644 aa 666 aa 23.4 %
Dictyostelium discoideum DNA topoisomerase II DNA gyrase   644 aa 655 aa 23.8 %
Brugia malayi DNA topoisomerase II, alpha isozyme DNA gyrase   644 aa 659 aa 24.3 %
Onchocerca volvulus DNA gyrase   644 aa 618 aa 26.5 %
Plasmodium knowlesi DNA gyrase subunit B, putative DNA gyrase   644 aa 517 aa 36.0 %
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 %
Trypanosoma brucei DNA topoisomerase II alpha, putative DNA gyrase   644 aa 676 aa 23.4 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 678 aa 22.7 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase   644 aa 674 aa 23.0 %
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 %
Onchocerca volvulus DNA gyrase   644 aa 624 aa 25.8 %
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 %
Trypanosoma brucei DNA topoisomerase ii DNA gyrase   644 aa 619 aa 25.7 %
Leishmania infantum mitochondrial DNA topoisomerase II DNA gyrase   644 aa 624 aa 23.2 %
Toxoplasma gondii DNA topoisomerase 2, putative DNA gyrase   644 aa 664 aa 24.1 %
Brugia malayi Probable DNA topoisomerase II DNA gyrase   644 aa 672 aa 25.9 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase   644 aa 676 aa 23.4 %
Entamoeba histolytica DNA topoisomerase II, putative DNA gyrase   644 aa 544 aa 25.0 %
Loa Loa (eye worm) TOPoisomerase family member DNA gyrase   644 aa 668 aa 26.2 %
Echinococcus multilocularis DNA topoisomerase 2 alpha DNA gyrase   644 aa 612 aa 25.8 %
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein DNA gyrase   644 aa 548 aa 25.7 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase   644 aa 625 aa 25.6 %
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB DNA gyrase   644 aa 561 aa 50.4 %
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 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 678 aa 22.9 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase   644 aa 674 aa 23.0 %
Trypanosoma congolense DNA topoisomerase II, putative DNA gyrase   644 aa 617 aa 24.8 %
Onchocerca volvulus Ectoderm-expressed 4 homolog DNA gyrase   644 aa 673 aa 24.1 %
Babesia bovis DNA topoisomerase II, putative DNA gyrase   644 aa 587 aa 22.7 %
Theileria parva DNA topoisomerase II, putative DNA gyrase   644 aa 683 aa 23.9 %
Neospora caninum hypothetical protein DNA gyrase   644 aa 693 aa 24.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus tubulin gamma 1 chain 0.0395 0.5316 0.53
Trypanosoma brucei alpha tubulin 0.0552 0.7504 0.7504
Echinococcus multilocularis Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Echinococcus granulosus Tubulin beta 2C chain 0.0729 0.999 0.999
Echinococcus multilocularis hypothetical protein 0.0552 0.7504 0.7496
Trichomonas vaginalis tubulin gamma chain, putative 0.0395 0.5316 0.5306
Leishmania major beta tubulin 0.0729 0.999 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0395 0.5316 0.5306
Giardia lamblia Alpha-tubulin 0.0552 0.7504 0.7504
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Schistosoma mansoni tubulin subunit alpha 0.0552 0.7504 0.7496
Echinococcus multilocularis Tubulin beta 2C chain 0.0729 0.999 0.999
Trichomonas vaginalis tubulin gamma chain, putative 0.0395 0.5316 0.5306
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Trypanosoma cruzi alpha tubulin, putative 0.0552 0.7504 0.7504
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0729 0.999 0.999
Trichomonas vaginalis tubulin, putative 0.0729 0.999 1
Echinococcus granulosus geminin 0.0355 0.4753 0.4736
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Toxoplasma gondii alpha tubulin TUBA1 0.0552 0.7504 0.7512
Echinococcus multilocularis tubulin alpha 1C chain 0.0552 0.7504 0.7496
Trypanosoma brucei beta tubulin 0.0729 0.999 1
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Loa Loa (eye worm) alpha-tubulin 0.0552 0.7504 0.7511
Onchocerca volvulus 0.0224 0.2916 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.038 0.5105 0.5094
Loa Loa (eye worm) tubulin alpha chain 0.0552 0.7504 0.7511
Leishmania major beta tubulin 0.0729 0.999 1
Leishmania major epsilon tubulin, putative 0.0395 0.5316 0.5306
Brugia malayi Tubulin beta chain 0.0224 0.2916 0.2917
Trypanosoma cruzi epsilon tubulin, putative 0.0395 0.5316 0.5306
Echinococcus granulosus tubulin alpha 3 chain 0.0552 0.7504 0.7496
Loa Loa (eye worm) alpha-tubulin 0.0552 0.7504 0.7511
Brugia malayi Tubulin alpha-2 chain 0.0552 0.7504 0.7511
Leishmania major beta tubulin 0.0729 0.999 1
Echinococcus multilocularis tubulin alpha chain 0.0552 0.7504 0.7496
Trichomonas vaginalis tubulin alpha chain, putative 0.0224 0.2916 0.2896
Echinococcus granulosus tumor protein p63 0.035 0.4688 0.467
Loa Loa (eye worm) alpha-tubulin isotype 2 0.038 0.5105 0.5108
Leishmania major gamma-tubulin 0.0395 0.5316 0.5306
Echinococcus multilocularis tumor protein p63 0.035 0.4688 0.467
Echinococcus multilocularis Tubulin beta 2C chain 0.0729 0.999 0.999
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0552 0.7504 0.7504
Loa Loa (eye worm) tubulin gamma chain 0.0395 0.5316 0.532
Trypanosoma brucei alpha tubulin 0.0552 0.7504 0.7504
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Schistosoma mansoni alpha tubulin 0.0552 0.7504 0.7496
Echinococcus multilocularis tubulin subunit TubB 0.0552 0.7504 0.7496
Echinococcus multilocularis tubulin epsilon chain 0.0395 0.5316 0.53
Trypanosoma brucei epsilon tubulin 0.0395 0.5316 0.5306
Plasmodium falciparum alpha tubulin 1 0.0552 0.7504 0.7504
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Echinococcus granulosus tubulin beta 1 chain 0.0729 0.999 0.999
Trypanosoma brucei beta tubulin 0.0729 0.999 1
Brugia malayi Tubulin beta-1 chain 0.0729 0.999 1
Brugia malayi Tubulin gamma chain 0.0395 0.5316 0.532
Echinococcus granulosus tubulin alpha 1C chain 0.0552 0.7504 0.7496
Echinococcus multilocularis Tubulin beta 2C chain 0.0729 0.999 0.999
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0328 0.4377 0.4363
Trichomonas vaginalis tubulin epsilon chain, putative 0.0552 0.7504 0.7504
Echinococcus multilocularis peroxisome assembly protein 26 0.0552 0.7504 0.7496
Brugia malayi tubulin alpha chain - mouse 0.0552 0.7504 0.7511
Trypanosoma brucei beta tubulin 0.0729 0.999 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Echinococcus multilocularis tubulin alpha 3 chain 0.0552 0.7504 0.7496
Brugia malayi beta-tubulin, identical 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Echinococcus granulosus tubulin alpha chain 0.0552 0.7504 0.7496
Echinococcus multilocularis Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Leishmania major beta tubulin 0.0729 0.999 1
Echinococcus granulosus tubulin alpha chain 0.0552 0.7504 0.7496
Echinococcus granulosus tubulin epsilon chain 0.0395 0.5316 0.53
Echinococcus granulosus survival motor neuron protein 1 0.025 0.3288 0.3266
Echinococcus granulosus alpha tubulin 0.0552 0.7504 0.7496
Echinococcus multilocularis tubulin alpha 1C chain 0.0552 0.7504 0.7496
Echinococcus multilocularis beta tubulin 0.0729 0.999 0.999
Plasmodium falciparum tubulin epsilon chain, putative 0.0395 0.5316 0.5306
Loa Loa (eye worm) tubulin alpha chain 0.0552 0.7504 0.7511
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Loa Loa (eye worm) beta-tubulin 0.0729 0.999 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Loa Loa (eye worm) BEN-1 protein 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Echinococcus granulosus tubulin alpha 3 chain 0.0552 0.7504 0.7496
Echinococcus multilocularis beta tubulin 0.0729 0.999 0.999
Echinococcus granulosus Tubulin beta 2C chain 0.0729 0.999 0.999
Trichomonas vaginalis tubulin, putative 0.0224 0.2916 0.2896
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Loa Loa (eye worm) tubulin alpha 2 0.038 0.5105 0.5108
Giardia lamblia Beta tubulin 0.0729 0.999 1
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Plasmodium vivax tubulin alpha chain, putative 0.0552 0.7504 0.7511
Brugia malayi hypothetical protein 0.025 0.3288 0.3289
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Echinococcus granulosus tubulin alpha chain 0.0552 0.7504 0.7496
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Plasmodium falciparum alpha tubulin 2 0.0552 0.7504 0.7504
Loa Loa (eye worm) hypothetical protein 0.0328 0.4377 0.438
Loa Loa (eye worm) tubulin beta-1 chain 0.0729 0.999 1
Toxoplasma gondii beta-1 tubulin, putative 0.0729 0.999 1
Trypanosoma brucei alpha tubulin 0.0552 0.7504 0.7504
Echinococcus granulosus tubulin subunit beta 0.0729 0.999 0.999
Echinococcus granulosus Tubulin beta 2C chain 0.0729 0.999 0.999
Leishmania major beta tubulin 0.0729 0.999 1
Loa Loa (eye worm) hypothetical protein 0.025 0.3288 0.3289
Trypanosoma brucei epsilon tubulin 0.0395 0.5316 0.5306
Plasmodium vivax tubulin beta chain, putative 0.0729 0.999 1
Echinococcus granulosus tubulin alpha chain 0.0552 0.7504 0.7496
Schistosoma mansoni alpha tubulin 0.0552 0.7504 0.7496
Giardia lamblia Alpha-tubulin 0.0552 0.7504 0.7504
Leishmania major beta tubulin 0.0729 0.999 1
Trypanosoma brucei tubulin gamma chain 0.0395 0.5316 0.5306
Trichomonas vaginalis tubulin gamma chain, putative 0.0729 0.999 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0729 0.999 1
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Trypanosoma brucei alpha tubulin 0.0552 0.7504 0.7504
Leishmania major beta tubulin 0.0729 0.999 1
Entamoeba histolytica tubulin gamma chain 0.0395 0.5316 0.5292
Echinococcus multilocularis tubulin alpha chain 0.0552 0.7504 0.7496
Schistosoma mansoni hypothetical protein 0.0355 0.4753 0.4736
Brugia malayi Tubulin alpha-2 chain 0.0552 0.7504 0.7511
Plasmodium vivax tubulin alpha chain, putative 0.0552 0.7504 0.7511
Echinococcus granulosus Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Trichomonas vaginalis tubulin beta chain, putative 0.0224 0.2916 0.2896
Echinococcus granulosus beta tubulin 0.0729 0.999 0.999
Schistosoma mansoni alpha tubulin 0.0552 0.7504 0.7496
Echinococcus multilocularis tubulin alpha 0.0395 0.5316 0.53
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Leishmania major beta tubulin 0.0729 0.999 1
Brugia malayi tubulin alpha-2 chain 0.0552 0.7504 0.7511
Toxoplasma gondii beta-tubulin, putative 0.0729 0.999 1
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Echinococcus granulosus Tubulin beta 2C chain 0.0729 0.999 0.999
Brugia malayi Tubulin alpha chain 0.0552 0.7504 0.7511
Echinococcus multilocularis tubulin alpha chain 0.0552 0.7504 0.7496
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Leishmania major beta tubulin 0.0729 0.999 1
Echinococcus granulosus beta tubulin 0.0729 0.999 0.999
Leishmania major beta tubulin 0.0729 0.999 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0224 0.2916 0.2896
Trichomonas vaginalis tubulin beta chain, putative 0.0552 0.7504 0.7504
Echinococcus granulosus Tubulin beta 2C chain 0.0729 0.999 0.999
Plasmodium vivax tubulin gamma chain, putative 0.0395 0.5316 0.532
Trichomonas vaginalis tubulin beta chain, putative 0.0729 0.999 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0729 0.999 0.999
Schistosoma mansoni tubulin subunit alpha 0.0552 0.7504 0.7496
Leishmania major beta tubulin 0.0729 0.999 1
Toxoplasma gondii beta tubulin 0.0729 0.999 1
Echinococcus granulosus tubulin alpha chain 0.0552 0.7504 0.7496
Entamoeba histolytica tubulin family protein 0.0729 0.999 1
Plasmodium falciparum tubulin beta chain 0.0729 0.999 1
Brugia malayi alpha-tubulin 0.0552 0.7504 0.7511
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.3193 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0729 0.999 0.999
Echinococcus multilocularis tubulin alpha chain 0.0552 0.7504 0.7496
Schistosoma mansoni tubulin subunit epsilon 0.0395 0.5316 0.53
Loa Loa (eye worm) tubulin alpha-2 chain 0.0552 0.7504 0.7511
Echinococcus multilocularis Tubulin beta 2C chain 0.0729 0.999 0.999
Leishmania major beta tubulin 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Trypanosoma cruzi epsilon tubulin, putative 0.0395 0.5316 0.5306
Trichomonas vaginalis tubulin alpha chain, putative 0.0224 0.2916 0.2896
Schistosoma mansoni tubulin subunit gamma 0.0395 0.5316 0.53
Echinococcus multilocularis tubulin gamma 1 chain 0.0395 0.5316 0.53
Loa Loa (eye worm) hypothetical protein 0.0552 0.7504 0.7511
Echinococcus multilocularis tubulin alpha 3 chain 0.0552 0.7504 0.7496
Trypanosoma cruzi tubulin gamma chain 0.0395 0.5316 0.5306
Loa Loa (eye worm) tubulin alpha-3 chain 0.0328 0.4377 0.438
Trypanosoma cruzi beta tubulin, putative 0.0729 0.999 1
Echinococcus granulosus peroxisome assembly protein 26 0.0552 0.7504 0.7496
Schistosoma mansoni hypothetical protein 0.0355 0.4753 0.4736
Trypanosoma brucei beta tubulin 0.0729 0.999 1
Echinococcus multilocularis tubulin beta 1 chain 0.0729 0.999 0.999
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Giardia lamblia Beta tubulin 0.0729 0.999 1
Entamoeba histolytica tubulin alpha chain, putative 0.0552 0.7504 0.7496
Echinococcus multilocularis geminin 0.0355 0.4753 0.4736
Entamoeba histolytica tubulin alpha-1 chain 0.0552 0.7504 0.7496
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0395 0.5316 0.5321
Echinococcus multilocularis tubulin subunit beta 0.0729 0.999 0.999
Echinococcus multilocularis tubulin alpha chain 0.0552 0.7504 0.7496
Echinococcus granulosus Tubulin alpha 1 chain 0.0552 0.7504 0.7496
Leishmania major alpha tubulin 0.0552 0.7504 0.7504
Trichomonas vaginalis tubulin, putative 0.0224 0.2916 0.2896
Plasmodium vivax tubulin epsilon chain, putative 0.0395 0.5316 0.532
Loa Loa (eye worm) hypothetical protein 0.038 0.5105 0.5108
Loa Loa (eye worm) tubulin beta-4 chain 0.0729 0.999 1
Trypanosoma brucei epsilon tubulin 0.0395 0.5316 0.5306
Giardia lamblia Beta tubulin 0.0729 0.999 1
Echinococcus granulosus tubulin alpha 0.0395 0.5316 0.53
Trypanosoma brucei beta tubulin 0.0395 0.5316 0.5306
Schistosoma mansoni tubulin subunit beta 0.0729 0.999 0.999
Echinococcus granulosus tubulin subunit TubB 0.0552 0.7504 0.7496
Loa Loa (eye worm) BEN-1 protein 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Loa Loa (eye worm) tubulin beta chain 0.0729 0.999 1
Loa Loa (eye worm) tubulin alpha 2 0.038 0.5105 0.5108
Schistosoma mansoni tubulin subunit alpha 0.0552 0.7504 0.7496
Loa Loa (eye worm) tubulin beta-2A chain 0.0729 0.999 1
Leishmania major beta tubulin 0.0729 0.999 1
Entamoeba histolytica tubulin family protein 0.0729 0.999 1
Trypanosoma brucei alpha tubulin, putative 0.0224 0.2916 0.2896
Trichomonas vaginalis tubulin epsilon chain, putative 0.0729 0.999 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0224 0.2916 0.2896
Trichomonas vaginalis tubulin alpha chain, putative 0.0729 0.999 1
Toxoplasma gondii alpha-tubulin I, putative 0.0552 0.7504 0.7512
Plasmodium falciparum tubulin gamma chain 0.0395 0.5316 0.5306
Echinococcus granulosus tubulin alpha 1C chain 0.0552 0.7504 0.7496
Trichomonas vaginalis tubulin epsilon chain, putative 0.0552 0.7504 0.7504
Giardia lamblia Gamma tubulin 0.0395 0.5316 0.5306
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.3288 0.3266

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.125 uM Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr ChEMBL. 23968485
IC50 (binding) = 1.56 uM Inhibition of Staphylococcus aureus DNA gyrase ChEMBL. 23566517
IC50 (binding) = 23.6 uM Inhibition of human ERG channel in HEK293 cells by voltage-gated patch clamp technique ChEMBL. 23566517
IC50 (binding) = 124 uM Inhibition of human ERG ChEMBL. 21443219
IC50 (binding) = 128 uM Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr ChEMBL. 23968485
MIC (functional) > 8 ug/L Antibacterial activity against wild type Escherichia coli ATCC 25922 assessed as growth inhibition by broth microdilution method ChEMBL. 23968485

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.