Detailed information for compound 936516

Basic information

Technical information
  • TDR Targets ID: 936516
  • Name: 5-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-5-o xopentanoic acid
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 3 H acceptors: 4 LogP: 2.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCC(=O)Nc1ccc(cc1)c1nc2c([nH]1)cccc2
  • InChi: 1S/C18H17N3O3/c22-16(6-3-7-17(23)24)19-13-10-8-12(9-11-13)18-20-14-4-1-2-5-15(14)21-18/h1-2,4-5,8-11H,3,6-7H2,(H,19,22)(H,20,21)(H,23,24)
  • InChiKey: AZEMTZJTVCMXHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-5-oxo-pentanoic acid
  • 5-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-5-keto-valeric acid
  • TimTec1_007608
  • IDI1_033262
  • STK066321
  • 4-[4-(1H-Benzoimidazol-2-yl)-phenylcarbamoyl]-butyric acid
  • BAS 01355130

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0107 0.0084
Echinococcus granulosus excitatory amino acid transporter 3 0.0249 0.3031 0.3002
Echinococcus granulosus neutral amino acid transporter A 0.0249 0.3031 0.3002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Onchocerca volvulus 0.0229 0.2697 0.8858
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0228 0.2675 0.2645
Schistosoma mansoni microtubule-associated protein tau 0.0667 1 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0224 0.2624 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0249 0.3031 1
Chlamydia trachomatis DNA gyrase subunit A 0.0136 0.1152 0.1871
Schistosoma mansoni glutamate receptor AMPA 0.0188 0.2017 0.1985
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0074 0.0107 0.0084
Brugia malayi Probable DNA topoisomerase II 0.0075 0.0137 0.0162
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.042 0.5879 0.5862
Echinococcus granulosus neutral amino acid transporter 0.0249 0.3031 0.3002
Echinococcus multilocularis kinesin family 1 0.0199 0.2197 0.2165
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0224 0.2624 0.5394
Chlamydia trachomatis glutamate symporter 0.0249 0.3031 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0136 0.1152 0.4081
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.118 0.0152
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.042 0.5879 0.5862
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0249 0.3031 1
Loa Loa (eye worm) excitatory amino acid transporter 0.0249 0.3031 0.4208
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0107 0.0084
Echinococcus multilocularis sodium:dicarboxylate symporter 0.011 0.0719 0.0682
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0076 0.0155 0.0115
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.359 1
Schistosoma mansoni glutamate receptor AMPA 0.0188 0.2017 0.1985
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0128 0.1015 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0074 0.0107 0.0067
Mycobacterium ulcerans DNA gyrase subunit B 0.0224 0.2624 1
Schistosoma mansoni tyrosine kinase 0.0074 0.0107 0.0067
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.042 0.5879 0.5862
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Echinococcus granulosus voltage dependent calcium channel subunit 0.0158 0.1517 0.1483
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0336 0.4491 0.4469
Brugia malayi hypothetical protein 0.0074 0.0107 0.0108
Echinococcus granulosus glutamate receptor 2 0.0262 0.3245 0.3217
Echinococcus multilocularis glutamate receptor 2 0.0262 0.3245 0.3217
Schistosoma mansoni hypothetical protein 0.0173 0.1766 0.1732
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.3031 0.3002
Echinococcus multilocularis tyrosine kinase 0.0074 0.0107 0.0067
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Schistosoma mansoni DNA topoisomerase II 0.0075 0.0137 0.0097
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0495 0.7136 0.7125
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0328 0.4355 0.7782
Plasmodium falciparum DNA gyrase subunit B 0.0224 0.2624 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 0.359 1
Brugia malayi Excitatory amino acid transporter 0.0249 0.3031 0.539
Loa Loa (eye worm) glutamate receptor 0.0402 0.5583 0.7808
Echinococcus granulosus kinesin family 1 0.0199 0.2197 0.2165
Echinococcus multilocularis receptor type guanylyl cyclase 0.0074 0.0107 0.0067
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0262 0.3245 0.3217
Echinococcus multilocularis excitatory amino acid transporter 3 0.0249 0.3031 0.3002
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0228 0.2675 0.2645
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0075 0.0137 0.0103
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0228 0.2675 0.2645
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0188 0.2017 0.1985
Echinococcus multilocularis glutamate receptor 2 0.0192 0.2084 0.2051
Schistosoma mansoni metabotropic glutamate receptor 0.0232 0.2753 0.2723
Echinococcus multilocularis microtubule associated protein 2 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Brugia malayi Guanylyl cyclase protein 23 0.0074 0.0107 0.0108
Chlamydia trachomatis DNA gyrase subunit B 0.0172 0.1746 0.4442
Loa Loa (eye worm) hypothetical protein 0.0139 0.1199 0.1624
Echinococcus granulosus tyrosine kinase 0.0074 0.0107 0.0067
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Schistosoma mansoni protein kinase 0.0074 0.0107 0.0067
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0158 0.1517 0.1483
Echinococcus multilocularis nmda type glutamate receptor 0.0093 0.0431 0.0392
Brugia malayi Metabotropic glutamate receptor precursor. 0.0402 0.5583 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.118 0.0194
Loa Loa (eye worm) glutamate receptor 1 0.0188 0.2017 0.2779
Brugia malayi metabotropic glutamate receptor type 2 0.0232 0.2753 0.4887
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0152 0.141 0.1374
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0249 0.3031 0.3002
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0075 0.0137 0.0097
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0074 0.0107 0.0108
Loa Loa (eye worm) hypothetical protein 0.0495 0.7136 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0495 0.7136 0.7125
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0249 0.3031 0.3002
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.042 0.5879 0.5862
Echinococcus granulosus Excitatory amino acid transporter 0.0249 0.3031 0.3002
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0075 0.0137 0.0103
Echinococcus granulosus excitatory amino acid transporter 2 0.0249 0.3031 0.3002
Schistosoma mansoni metabotropic glutamate receptor 0.0336 0.4491 0.4469
Loa Loa (eye worm) TOPoisomerase family member 0.0075 0.0137 0.0127
Schistosoma mansoni hypothetical protein 0.0082 0.0242 0.0202
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.3031 0.3002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0348 0.4679 0.4657
Echinococcus granulosus sodium:dicarboxylate symporter 0.0249 0.3031 0.3002
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0224 0.2624 0.7836
Schistosoma mansoni glutamate receptor kainate 0.0346 0.4651 0.4629
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.2233 0.3084
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0139 0.1199 0.1624
Trichomonas vaginalis set domain proteins, putative 0.0229 0.2697 0.7414
Loa Loa (eye worm) glutamate receptor 2 0.0188 0.2017 0.2779
Schistosoma mansoni ATP-binding cassette transporter 0.0188 0.2017 0.1985
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0322 0.425 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.011 0.0719 0.0682
Echinococcus multilocularis glutamate receptor 2 0.0188 0.2017 0.1985
Brugia malayi Glutamate receptor 2 precursor 0.0188 0.2017 0.3559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0075 0.0137 0.0086
Echinococcus granulosus receptor type guanylyl cyclase 0.0074 0.0107 0.0067
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0075 0.0137 0.0162
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.042 0.5879 0.5862
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0136 0.1152 1
Brugia malayi Glutamate receptor 1 precursor 0.0188 0.2017 0.3559
Leishmania major mitochondrial DNA topoisomerase II 0.0128 0.1015 1
Schistosoma mansoni glutamate receptor NMDA 0.0188 0.2017 0.1985
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0139 0.1199 0.1624
Echinococcus multilocularis nmda type glutamate receptor 0.0074 0.0107 0.0067
Brugia malayi Receptor family ligand binding region containing protein 0.0139 0.1199 0.208
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.118 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0128 0.1015 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0249 0.3031 0.3002
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0075 0.0137 0.0097
Echinococcus granulosus glutamate NMDA receptor subunit 0.0188 0.2017 0.1985
Schistosoma mansoni glutamate receptor kainate 0.0188 0.2017 0.1985
Echinococcus granulosus Excitatory amino acid transporter 0.0249 0.3031 0.3002
Loa Loa (eye worm) RGC/RGC protein kinase 0.0074 0.0107 0.0084
Brugia malayi Pre-SET motif family protein 0.0201 0.2233 0.395
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.359 1
Chlamydia trachomatis DNA gyrase subunit B 0.0224 0.2624 0.8241
Echinococcus multilocularis excitatory amino acid transporter 2 0.0249 0.3031 0.3002
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0262 0.3245 0.3217
Echinococcus granulosus metabotropic glutamate receptor 2 0.0336 0.4491 0.4469
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0251 0.3065 0.3036
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.011 0.0719 0.0682
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0136 0.1152 0.1225
Echinococcus granulosus atrial natriuretic peptide receptor 0.0074 0.0107 0.0067
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0114 0.0779 0.6327
Brugia malayi Receptor family ligand binding region containing protein 0.0074 0.0107 0.0108
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0249 0.3031 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0348 0.4679 0.4657
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0075 0.0137 0.0103
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0421 0.5909 0.5892
Loa Loa (eye worm) glutamate receptor 0.0159 0.1525 0.2084
Echinococcus granulosus glutamate receptor 2 0.0192 0.2084 0.2051
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0075 0.0137 0.0162
Echinococcus multilocularis NMDA receptor 0.0228 0.2675 0.2645
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.042 0.5879 0.5862
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0249 0.3031 0.3002
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Echinococcus granulosus nmda type glutamate receptor 0.0074 0.0107 0.0067
Echinococcus multilocularis Excitatory amino acid transporter 0.0249 0.3031 0.3002
Plasmodium falciparum DNA gyrase subunit A 0.0136 0.1152 0.4081
Echinococcus multilocularis excitatory amino acid transporter 2 0.0249 0.3031 0.3002
Echinococcus granulosus excitatory amino acid transporter 2 0.0249 0.3031 0.3002
Trypanosoma brucei DNA topoisomerase ii 0.0128 0.1015 0.5
Schistosoma mansoni glutamate receptor kainate 0.0346 0.4651 0.4629
Echinococcus granulosus nmda type glutamate receptor 0.0093 0.0431 0.0392
Schistosoma mansoni glutamate receptor NMDA 0.0262 0.3245 0.3217
Echinococcus granulosus neutral amino acid transporter A 0.0249 0.3031 0.3002
Treponema pallidum fructose-bisphosphate aldolase 0.0282 0.359 0.8129
Loa Loa (eye worm) hypothetical protein 0.0074 0.0107 0.0084
Schistosoma mansoni serine-rich repeat protein 0.0082 0.0242 0.0202
Echinococcus multilocularis neutral amino acid transporter A 0.0249 0.3031 0.3002
Schistosoma mansoni tyrosine kinase 0.0074 0.0107 0.0067
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.011 0.0719 0.0682
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0224 0.2624 0.7836
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.359 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.9 uM Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysis ChEMBL. 25288496
IC50 (binding) = 12.6 uM Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity ChEMBL. 25288496

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

No literature references available for this target.

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