Detailed information for compound 912521

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.446 | Formula: C20H17N5O3S
  • H donors: 2 H acceptors: 5 LogP: 3.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CSc1nc(O)c2c(n1)n(nc2)c1ccccc1
  • InChi: 1S/C20H17N5O3S/c1-28-15-9-5-6-13(10-15)22-17(26)12-29-20-23-18-16(19(27)24-20)11-21-25(18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,26)(H,23,24,27)
  • InChiKey: AQSRSPFGMSNEAB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus tubulin beta 4A class IVa 0.1677 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1677 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0896 0.5078 0.5065
Giardia lamblia Beta tubulin 0.1677 1 1
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Schistosoma mansoni alpha tubulin 0.1225 0.7153 0.7153
Toxoplasma gondii beta-1 tubulin, putative 0.1677 1 1
Echinococcus multilocularis tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0094 0.0027 0.0027
Loa Loa (eye worm) tubulin alpha 2 0.0836 0.4703 0.4703
Echinococcus multilocularis tubulin beta 1 chain 0.1677 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0389 0.1884 0.1863
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Trypanosoma brucei beta tubulin 0.1677 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1677 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0594 0.3176 0.3176
Echinococcus multilocularis peroxisome assembly protein 26 0.1225 0.7153 0.7153
Loa Loa (eye worm) tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus granulosus peroxisome assembly protein 26 0.1225 0.7153 0.7153
Brugia malayi Tubulin alpha chain 0.0389 0.1884 0.1884
Leishmania major gamma-tubulin 0.0896 0.5078 0.5065
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Loa Loa (eye worm) tubulin alpha-2 chain 0.1225 0.7153 0.7153
Echinococcus granulosus beta tubulin 0.1677 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0389 0.1884 0.5
Giardia lamblia Alpha-tubulin 0.1225 0.7153 0.6493
Giardia lamblia Beta tubulin 0.1677 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0389 0.1884 0.1863
Mycobacterium tuberculosis Cell division protein FtsZ 0.0389 0.1884 1
Schistosoma mansoni tubulin subunit alpha 0.1225 0.7153 0.7153
Toxoplasma gondii alpha-tubulin I, putative 0.1225 0.7153 0.7146
Echinococcus multilocularis isocitrate dehydrogenase 0.0094 0.0027 0.0027
Plasmodium vivax tubulin alpha chain, putative 0.1225 0.7153 0.7146
Echinococcus multilocularis beta tubulin 0.1677 1 1
Echinococcus multilocularis tubulin alpha chain 0.1225 0.7153 0.7153
Trichomonas vaginalis tubulin alpha chain, putative 0.0507 0.2627 0.0915
Brugia malayi Cell division protein ftsZ 0.0389 0.1884 0.1884
Trypanosoma brucei epsilon tubulin 0.0896 0.5078 0.5065
Schistosoma mansoni tubulin subunit alpha 0.1225 0.7153 0.7153
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0896 0.5078 0.5065
Brugia malayi Tubulin alpha-2 chain 0.1225 0.7153 0.7153
Echinococcus granulosus tubulin alpha 1C chain 0.1225 0.7153 0.7153
Echinococcus multilocularis Tubulin alpha 1 chain 0.1225 0.7153 0.7153
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Plasmodium vivax tubulin gamma chain, putative 0.0896 0.5078 0.5065
Plasmodium falciparum tubulin delta chain, putative 0.0389 0.1884 0.1863
Treponema pallidum cell division protein FtsZ 0.0389 0.1884 0.5
Leishmania major beta tubulin 0.1677 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0896 0.5078 0.5078
Schistosoma mansoni tubulin subunit beta 0.0389 0.1884 0.1884
Leishmania major zeta tubulin, putative 0.0389 0.1884 0.1863
Loa Loa (eye worm) tubulin alpha chain 0.1225 0.7153 0.7153
Loa Loa (eye worm) tubulin beta chain 0.1677 1 1
Echinococcus granulosus tubulin subunit beta 0.1677 1 1
Brugia malayi Isocitrate dehydrogenase 0.0094 0.0027 0.0027
Trypanosoma brucei zeta tubulin 0.0389 0.1884 0.1863
Schistosoma mansoni alpha tubulin 0.1225 0.7153 0.7153
Echinococcus multilocularis tubulin alpha 1C chain 0.1225 0.7153 0.7153
Echinococcus multilocularis hypothetical protein 0.1225 0.7153 0.7153
Echinococcus multilocularis tubulin alpha 3 chain 0.1225 0.7153 0.7153
Trypanosoma cruzi tubulin delta chain 0.0389 0.1884 0.1863
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0143 0.0332 0.0332
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0389 0.1884 0.5
Loa Loa (eye worm) hypothetical protein 0.0125 0.0224 0.0224
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0094 0.0027 0.0027
Plasmodium vivax tubulin beta chain, putative 0.1677 1 1
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.1677 1 1
Loa Loa (eye worm) alpha-tubulin 0.1225 0.7153 0.7153
Leishmania major beta tubulin 0.1677 1 1
Schistosoma mansoni tubulin subunit gamma 0.0896 0.5078 0.5078
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Giardia lamblia Alpha-tubulin 0.1225 0.7153 0.6493
Entamoeba histolytica tubulin family protein 0.1677 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1677 1 1
Plasmodium vivax tubulin alpha chain, putative 0.1225 0.7153 0.7146
Echinococcus multilocularis Tubulin beta 2C chain 0.1677 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.1225 0.7153 0.7146
Trichomonas vaginalis tubulin alpha chain, putative 0.0896 0.5078 0.3935
Echinococcus granulosus tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus multilocularis tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus granulosus Tubulin beta 2C chain 0.1677 1 1
Echinococcus granulosus tubulin alpha chain 0.1225 0.7153 0.7153
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0836 0.4703 0.4703
Echinococcus multilocularis tubulin subunit beta 0.1677 1 1
Schistosoma mansoni alpha tubulin 0.1225 0.7153 0.7153
Schistosoma mansoni hypothetical protein 0.101 0.5796 0.5796
Trypanosoma cruzi tubulin delta chain 0.0389 0.1884 0.1863
Onchocerca volvulus 0.0507 0.2627 1
Echinococcus multilocularis geminin 0.101 0.5796 0.5796
Trypanosoma brucei tubulin delta chain 0.0389 0.1884 0.1863
Trichomonas vaginalis tubulin beta chain, putative 0.0507 0.2627 0.0915
Echinococcus granulosus alpha tubulin 0.1225 0.7153 0.7153
Loa Loa (eye worm) tubulin beta-2A chain 0.1677 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.1677 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0718 0.396 0.396
Entamoeba histolytica tubulin family protein 0.1677 1 1
Trypanosoma brucei zeta tubulin, putative 0.0389 0.1884 0.1863
Trypanosoma cruzi alpha tubulin, putative 0.1225 0.7153 0.7146
Echinococcus granulosus Tubulin alpha 1 chain 0.1225 0.7153 0.7153
Brugia malayi isocitrate dehydrogenase 0.0094 0.0027 0.0027
Entamoeba histolytica tubulin alpha chain, putative 0.1225 0.7153 0.7056
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0094 0.0027 0.0027
Trypanosoma brucei alpha tubulin, putative 0.0507 0.2627 0.2608
Trichomonas vaginalis tubulin, putative 0.0507 0.2627 0.0915
Loa Loa (eye worm) tubulin beta chain 0.0389 0.1884 0.1884
Echinococcus multilocularis tubulin gamma 1 chain 0.0896 0.5078 0.5078
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Trypanosoma brucei alpha tubulin 0.1225 0.7153 0.7146
Loa Loa (eye worm) tubulin beta-4 chain 0.1677 1 1
Trypanosoma cruzi beta tubulin, putative 0.1677 1 1
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Leishmania major beta tubulin 0.1677 1 1
Brugia malayi hypothetical protein 0.0143 0.0332 0.0332
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0389 0.1884 0.1863
Toxoplasma gondii beta tubulin 0.1677 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0125 0.0224 0.0198
Trichomonas vaginalis tubulin alpha chain, putative 0.0507 0.2627 0.0915
Trypanosoma brucei alpha tubulin 0.1225 0.7153 0.7146
Plasmodium vivax delta tubulin, putative 0.0389 0.1884 0.1863
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Trypanosoma brucei beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin, putative 0.1677 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0125 0.0224 0.0198
Entamoeba histolytica tubulin alpha-1 chain 0.1225 0.7153 0.7056
Loa Loa (eye worm) hypothetical protein 0.0718 0.396 0.396
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0507 0.2627 0.0915
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Trichomonas vaginalis tubulin gamma chain, putative 0.0896 0.5078 0.3935
Echinococcus multilocularis tubulin alpha 0.0896 0.5078 0.5078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0094 0.0027 0.0027
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Trichomonas vaginalis tubulin alpha chain, putative 0.0507 0.2627 0.0915
Trypanosoma cruzi zeta tubulin, putative 0.0389 0.1884 0.1863
Echinococcus multilocularis tubulin alpha chain 0.1225 0.7153 0.7153
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Echinococcus multilocularis tubulin alpha 1C chain 0.1225 0.7153 0.7153
Echinococcus granulosus tubulin alpha chain 0.1225 0.7153 0.7153
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0718 0.396 0.2557
Leishmania major beta tubulin 0.1677 1 1
Schistosoma mansoni tubulin subunit alpha 0.1225 0.7153 0.7153
Loa Loa (eye worm) transcription factor SMAD2 0.0594 0.3176 0.3176
Trypanosoma brucei beta tubulin 0.1677 1 1
Brugia malayi Tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus granulosus Tubulin beta 2C chain 0.1677 1 1
Giardia lamblia Beta tubulin 0.1677 1 1
Brugia malayi alpha-tubulin 0.1225 0.7153 0.7153
Loa Loa (eye worm) alpha-tubulin 0.1225 0.7153 0.7153
Onchocerca volvulus 0.0473 0.2415 0.9047
Echinococcus multilocularis tubulin alpha chain 0.1225 0.7153 0.7153
Echinococcus multilocularis Tubulin beta 2C chain 0.1677 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.1225 0.7153 0.7153
Brugia malayi hypothetical protein 0.0125 0.0224 0.0224
Giardia lamblia Gamma tubulin 0.0896 0.5078 0.3935
Brugia malayi hypothetical protein 0.0154 0.0402 0.0402
Echinococcus granulosus tubulin gamma 1 chain 0.0896 0.5078 0.5078
Trypanosoma brucei beta tubulin 0.1677 1 1
Plasmodium falciparum alpha tubulin 1 0.1225 0.7153 0.7146
Loa Loa (eye worm) tubulin alpha 2 0.0836 0.4703 0.4703
Schistosoma mansoni tubulin subunit delta 0.0389 0.1884 0.1884
Loa Loa (eye worm) hypothetical protein 0.0154 0.0402 0.0402
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.1677 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.1225 0.7153 0.7153
Loa Loa (eye worm) tubulin alpha 2 0.0329 0.1509 0.1509
Schistosoma mansoni tubulin subunit alpha 0.0389 0.1884 0.1884
Echinococcus granulosus tubulin alpha 0.0896 0.5078 0.5078
Schistosoma mansoni tubulin subunit epsilon 0.0896 0.5078 0.5078
Trypanosoma brucei PAB1-binding protein , putative 0.0125 0.0224 0.0198
Leishmania major delta tubulin, putative 0.0389 0.1884 0.1863
Trypanosoma brucei epsilon tubulin 0.0896 0.5078 0.5065
Brugia malayi Tubulin beta chain 0.0389 0.1884 0.1884
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.1225 0.7153 0.7153
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0094 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0143 0.0332 0.0332
Echinococcus granulosus geminin 0.101 0.5796 0.5796
Echinococcus granulosus tubulin alpha chain 0.1225 0.7153 0.7153
Trichomonas vaginalis tubulin epsilon chain, putative 0.1677 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.1225 0.7153 0.7153
Toxoplasma gondii beta-tubulin, putative 0.1677 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1677 1 1
Echinococcus multilocularis tubulin delta chain 0.0389 0.1884 0.1884
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Trypanosoma brucei alpha tubulin 0.1225 0.7153 0.7146
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1225 0.7153 0.6493
Echinococcus granulosus tubulin alpha chain 0.1225 0.7153 0.7153
Leishmania major epsilon tubulin, putative 0.0896 0.5078 0.5065
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0836 0.4703 0.3473
Loa Loa (eye worm) hypothetical protein 0.0836 0.4703 0.4703
Plasmodium falciparum ataxin-2 like protein, putative 0.0125 0.0224 0.0198
Leishmania major beta tubulin 0.1677 1 1
Echinococcus granulosus tubulin delta chain 0.0389 0.1884 0.1884
Trichomonas vaginalis tubulin epsilon chain, putative 0.1225 0.7153 0.6493
Leishmania major beta tubulin 0.1677 1 1
Mycobacterium leprae cell division protein FtsZ 0.0389 0.1884 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0143 0.0332 0.0332
Brugia malayi Pax transcription factor protein 2 0.0473 0.2415 0.2415
Trypanosoma brucei tubulin gamma chain 0.0896 0.5078 0.5065
Loa Loa (eye worm) pax transcription factor protein 2 0.0473 0.2415 0.2415
Trypanosoma brucei epsilon tubulin 0.0896 0.5078 0.5065
Brugia malayi Tubulin alpha-2 chain 0.1225 0.7153 0.7153
Trypanosoma brucei alpha tubulin 0.1225 0.7153 0.7146
Trypanosoma cruzi PAB1-binding protein , putative 0.0125 0.0224 0.0198
Trypanosoma cruzi epsilon tubulin, putative 0.0896 0.5078 0.5065
Leishmania major beta tubulin 0.1677 1 1
Loa Loa (eye worm) BEN-1 protein 0.1677 1 1
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Brugia malayi tubulin alpha-2 chain 0.1225 0.7153 0.7153
Echinococcus granulosus tubulin alpha 3 chain 0.1225 0.7153 0.7153
Echinococcus granulosus tubulin alpha 1C chain 0.1225 0.7153 0.7153
Trichomonas vaginalis tubulin epsilon chain, putative 0.1225 0.7153 0.6493
Leishmania major beta tubulin 0.1677 1 1
Brugia malayi beta-tubulin, identical 0.1677 1 1
Loa Loa (eye worm) beta-tubulin 0.1677 1 1
Leishmania major beta tubulin 0.1677 1 1
Trypanosoma cruzi tubulin gamma chain 0.0896 0.5078 0.5065
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Leishmania major alpha tubulin 0.1225 0.7153 0.7146
Leishmania major beta tubulin 0.1677 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1677 1 1
Echinococcus granulosus tubulin beta 1 chain 0.1677 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1677 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.1677 1 1
Leishmania major beta tubulin 0.1677 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0896 0.5078 0.3935
Echinococcus multilocularis tubulin alpha 3 chain 0.1225 0.7153 0.7153
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0094 0.0027 0.0027
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1677 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0125 0.0224 0.0198
Trypanosoma cruzi PAB1-binding protein , putative 0.0125 0.0224 0.0198
Entamoeba histolytica tubulin gamma chain 0.0896 0.5078 0.4909
Loa Loa (eye worm) isocitrate dehydrogenase 0.0094 0.0027 0.0027
Trichomonas vaginalis tubulin, putative 0.0507 0.2627 0.0915
Leishmania major hypothetical protein, conserved 0.0125 0.0224 0.0198
Brugia malayi tubulin alpha chain - mouse 0.1225 0.7153 0.7153
Schistosoma mansoni hypothetical protein 0.101 0.5796 0.5796
Leishmania major beta tubulin 0.1677 1 1
Brugia malayi MH2 domain containing protein 0.0594 0.3176 0.3176
Brugia malayi Tubulin beta chain 0.0507 0.2627 0.2627
Trichomonas vaginalis tubulin beta chain, putative 0.1225 0.7153 0.6493
Leishmania major beta tubulin 0.1677 1 1
Echinococcus multilocularis tubulin subunit TubB 0.1225 0.7153 0.7153
Schistosoma mansoni transcription factor LCR-F1 0.0143 0.0332 0.0332
Echinococcus granulosus tubulin subunit TubB 0.1225 0.7153 0.7153
Echinococcus granulosus beta tubulin 0.1677 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.0896 0.5078 0.5065
Brugia malayi Tubulin gamma chain 0.0896 0.5078 0.5078
Echinococcus multilocularis tubulin epsilon chain 0.0896 0.5078 0.5078
Plasmodium falciparum tubulin epsilon chain, putative 0.0896 0.5078 0.5065
Loa Loa (eye worm) hypothetical protein 0.1225 0.7153 0.7153
Echinococcus multilocularis beta tubulin 0.1677 1 1
Loa Loa (eye worm) BEN-1 protein 0.1677 1 1
Trypanosoma brucei beta tubulin 0.0896 0.5078 0.5065
Echinococcus granulosus tubulin epsilon chain 0.0896 0.5078 0.5078
Plasmodium falciparum tubulin gamma chain 0.0896 0.5078 0.5065
Schistosoma mansoni tubulin subunit beta 0.1677 1 1
Plasmodium falciparum tubulin beta chain 0.1677 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.1677 1 1
Plasmodium falciparum alpha tubulin 2 0.1225 0.7153 0.7146
Echinococcus multilocularis Tubulin alpha 1 chain 0.1225 0.7153 0.7153

Activities

No activities found for this compound.

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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