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

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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