Detailed information for compound 426381

Basic information

Technical information
  • TDR Targets ID: 426381
  • Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol an-2-yl]-5-(2-trimethylsilylethynyl)pyrimidin e-2,4-dione
  • MW: 324.405 | Formula: C14H20N2O5Si
  • H donors: 3 H acceptors: 4 LogP: 0.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#C[Si](C)(C)C)c(=O)[nH]c1=O
  • InChi: 1S/C14H20N2O5Si/c1-22(2,3)5-4-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h7,10-12,17-18H,6,8H2,1-3H3,(H,15,19,20)/t10-,11+,12+/m0/s1
  • InChiKey: UMTLYUONQGQZMA-QJPTWQEYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(2-trimethylsilylethynyl)pyrimidine-2,4-quinone

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
Loa Loa (eye worm) tubulin beta-4 chain 0.0326 0.711 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0127 0.2315 0.3228
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.2559 0.3567
Entamoeba histolytica tubulin alpha-1 chain 0.0127 0.2315 0.1347
Plasmodium falciparum tubulin gamma chain 0.0127 0.2315 0.3256
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0943 0.1007
Echinococcus multilocularis tubulin subunit TubB 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Trichomonas vaginalis tubulin alpha chain, putative 0.0127 0.2315 0.3008
Leishmania major beta tubulin 0.0326 0.711 1
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Giardia lamblia Beta tubulin 0.0326 0.711 1
Echinococcus multilocularis beta tubulin 0.0326 0.711 0.9913
Echinococcus multilocularis hypothetical protein 0.0127 0.2315 0.3228
Entamoeba histolytica tubulin family protein 0.0326 0.711 1
Brugia malayi beta-lactamase family protein 0.007 0.0943 0.1327
Loa Loa (eye worm) beta-lactamase 0.007 0.0943 0.1327
Giardia lamblia Beta tubulin 0.0326 0.711 1
Brugia malayi Tubulin beta chain 0.0072 0.099 0.1392
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0943 1
Echinococcus granulosus tubulin alpha 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0127 0.2315 0.3008
Schistosoma mansoni tubulin subunit alpha 0.0127 0.2315 0.3228
Echinococcus granulosus Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0943 0.0943
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.711 0.9913
Schistosoma mansoni alpha tubulin 0.0127 0.2315 0.3228
Loa Loa (eye worm) tubulin alpha 2 0.0072 0.099 0.1392
Trichomonas vaginalis tubulin, putative 0.0072 0.099 0.1075
Echinococcus granulosus tubulin alpha 3 chain 0.0127 0.2315 0.3228
Schistosoma mansoni hypothetical protein 0.004 0.0217 0.0302
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.711 0.9913
Echinococcus multilocularis tubulin alpha chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Echinococcus multilocularis tubulin alpha 3 chain 0.0127 0.2315 0.3228
Echinococcus multilocularis Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Loa Loa (eye worm) tubulin beta-2A chain 0.0326 0.711 1
Leishmania major beta tubulin 0.0326 0.711 1
Schistosoma mansoni patched 1 0.0041 0.0252 0.0352
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0588 0.0489
Entamoeba histolytica tubulin gamma chain 0.0127 0.2315 0.1347
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2059 0.2896
Mycobacterium tuberculosis Cell division protein FtsZ 0.0055 0.0588 0.0588
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Trichomonas vaginalis tubulin gamma chain, putative 0.0055 0.0588 0.0489
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0943 0.0943
Loa Loa (eye worm) BEN-1 protein 0.0326 0.711 1
Toxoplasma gondii alpha tubulin TUBA1 0.0127 0.2315 0.3256
Schistosoma mansoni hypothetical protein 0.0329 0.7172 1
Plasmodium vivax tubulin epsilon chain, putative 0.0127 0.2315 0.3256
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Plasmodium vivax hypothetical protein, conserved 0.007 0.0943 0.1327
Schistosoma mansoni tubulin subunit alpha 0.0127 0.2315 0.3228
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0439 0.0618
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.711 0.9913
Echinococcus granulosus tubulin delta chain 0.0055 0.0588 0.082
Trypanosoma brucei beta tubulin 0.0127 0.2315 0.3256
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Giardia lamblia Beta tubulin 0.0326 0.711 1
Leishmania major epsilon tubulin, putative 0.0127 0.2315 0.3256
Trypanosoma brucei tubulin gamma chain 0.0127 0.2315 0.3256
Echinococcus multilocularis tubulin alpha chain 0.0127 0.2315 0.3228
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0252 0.0352
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.711 0.9913
Trypanosoma cruzi epsilon tubulin, putative 0.0127 0.2315 0.3256
Leishmania major beta tubulin 0.0326 0.711 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1605 0.2237
Trypanosoma cruzi epsilon tubulin, putative 0.0127 0.2315 0.3256
Leishmania major beta tubulin 0.0326 0.711 1
Trypanosoma cruzi zeta tubulin, putative 0.0055 0.0588 0.0827
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0072 0.099 0.1392
Echinococcus granulosus expressed conserved protein 0.009 0.1429 0.1992
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.099 0.1075
Brugia malayi Tubulin beta-1 chain 0.0326 0.711 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1569 0.2207
Trypanosoma cruzi beta tubulin, putative 0.0326 0.711 1
Echinococcus granulosus geminin 0.0329 0.7172 1
Echinococcus granulosus alpha tubulin 0.0127 0.2315 0.3228
Echinococcus granulosus tubulin alpha 1C chain 0.0127 0.2315 0.3228
Leishmania major delta tubulin, putative 0.0055 0.0588 0.0827
Leishmania major beta tubulin 0.0326 0.711 1
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Trichomonas vaginalis tubulin alpha chain, putative 0.0072 0.099 0.1075
Loa Loa (eye worm) alpha-tubulin 0.0127 0.2315 0.3256
Trichomonas vaginalis tubulin alpha chain, putative 0.0072 0.099 0.1075
Giardia lamblia Alpha-tubulin 0.0127 0.2315 0.2648
Mycobacterium ulcerans beta-lactamase 0.007 0.0943 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.2315 0.3256
Trypanosoma brucei epsilon tubulin 0.0127 0.2315 0.3256
Plasmodium vivax tubulin alpha chain, putative 0.0127 0.2315 0.3256
Trichomonas vaginalis tubulin gamma chain, putative 0.0127 0.2315 0.3008
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Echinococcus multilocularis geminin 0.0329 0.7172 1
Loa Loa (eye worm) tubulin alpha chain 0.0127 0.2315 0.3256
Loa Loa (eye worm) hypothetical protein 0.0096 0.1569 0.2207
Echinococcus granulosus tubulin alpha 1C chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin gamma chain, putative 0.0326 0.711 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0326 0.711 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0943 0.1007
Echinococcus multilocularis Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.711 0.9913
Trypanosoma brucei beta tubulin 0.0326 0.711 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0475 0.0668
Trichomonas vaginalis tubulin epsilon chain, putative 0.0127 0.2315 0.3008
Loa Loa (eye worm) tubulin beta-1 chain 0.0326 0.711 1
Plasmodium falciparum alpha tubulin 1 0.0127 0.2315 0.3256
Loa Loa (eye worm) tubulin alpha 2 0.0072 0.099 0.1392
Loa Loa (eye worm) tubulin gamma chain 0.0127 0.2315 0.3256
Brugia malayi alpha-tubulin 0.0127 0.2315 0.3256
Echinococcus granulosus tubulin alpha 3 chain 0.0127 0.2315 0.3228
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Loa Loa (eye worm) hypothetical protein 0.0049 0.0439 0.0618
Schistosoma mansoni hypothetical protein 0.004 0.0217 0.0302
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Plasmodium vivax delta tubulin, putative 0.0055 0.0588 0.0827
Echinococcus granulosus beta tubulin 0.0326 0.711 0.9913
Trypanosoma brucei alpha tubulin 0.0127 0.2315 0.3256
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0943 0.1007
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Echinococcus multilocularis protein dispatched 1 0.0047 0.0392 0.0547
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0943 0.1315
Echinococcus granulosus tubulin alpha chain 0.0127 0.2315 0.3228
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0127 0.2315 0.3256
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0943 0.1315
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1569 0.2187
Loa Loa (eye worm) tubulin beta chain 0.0055 0.0588 0.0827
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0439 0.0618
Trypanosoma cruzi zeta tubulin, putative 0.0055 0.0588 0.0827
Trypanosoma brucei beta tubulin 0.0326 0.711 1
Brugia malayi Tubulin gamma chain 0.0127 0.2315 0.3256
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0943 0.0943
Echinococcus granulosus Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin epsilon chain, putative 0.0127 0.2315 0.3008
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Brugia malayi Tubulin alpha chain 0.0127 0.2315 0.3256
Brugia malayi Tubulin alpha-2 chain 0.0127 0.2315 0.3256
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0943 0.1327
Loa Loa (eye worm) hypothetical protein 0.0072 0.099 0.1392
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0943 0.1327
Trichomonas vaginalis tubulin alpha chain, putative 0.0326 0.711 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0252 0.0352
Leishmania major beta tubulin 0.0326 0.711 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0072 0.099 0.1075
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Leishmania major beta tubulin 0.0326 0.711 1
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0943 0.0943
Echinococcus multilocularis tubulin delta chain 0.0055 0.0588 0.082
Trypanosoma brucei alpha tubulin 0.0127 0.2315 0.3256
Leishmania major beta tubulin 0.0326 0.711 1
Brugia malayi hypothetical protein 0.0049 0.0439 0.0618
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0943 0.1327
Trichomonas vaginalis tubulin, putative 0.0055 0.0588 0.0489
Brugia malayi Tubulin alpha-2 chain 0.0127 0.2315 0.3256
Echinococcus granulosus tubulin epsilon chain 0.0127 0.2315 0.3228
Echinococcus granulosus tubulin beta 4A class IVa 0.0326 0.711 0.9913
Leishmania major beta tubulin 0.0326 0.711 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0072 0.099 0.1075
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Schistosoma mansoni hypothetical protein 0.004 0.0217 0.0302
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0943 0.0943
Echinococcus multilocularis tubulin alpha chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin epsilon chain, putative 0.0326 0.711 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.711 0.9913
Echinococcus granulosus tubulin alpha chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin beta chain, putative 0.0326 0.711 1
Trypanosoma brucei alpha tubulin, putative 0.0072 0.099 0.1392
Trichomonas vaginalis esterase, putative 0.007 0.0943 0.1007
Entamoeba histolytica tubulin alpha chain, putative 0.0127 0.2315 0.1347
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0943 0.1007
Mycobacterium tuberculosis Conserved protein 0.007 0.0943 0.0943
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0588 0.0489
Brugia malayi Cell division protein ftsZ 0.0055 0.0588 0.0827
Leishmania major gamma-tubulin 0.0127 0.2315 0.3256
Treponema pallidum cell division protein FtsZ 0.0055 0.0588 0.5
Toxoplasma gondii beta tubulin 0.0326 0.711 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0127 0.2315 0.3228
Schistosoma mansoni tubulin subunit alpha 0.0127 0.2315 0.3228
Loa Loa (eye worm) tubulin alpha chain 0.0127 0.2315 0.3256
Entamoeba histolytica tubulin family protein 0.0326 0.711 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0439 0.0618
Onchocerca volvulus 0.0072 0.099 1
Echinococcus granulosus tubulin alpha chain 0.0127 0.2315 0.3228
Mycobacterium ulcerans lipase LipD 0.007 0.0943 1
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.711 0.9913
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0326 0.711 0.9913
Toxoplasma gondii alpha-tubulin I, putative 0.0127 0.2315 0.3256
Echinococcus multilocularis tubulin alpha chain 0.0127 0.2315 0.3228
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Brugia malayi Tubulin alpha chain 0.0055 0.0588 0.0827
Echinococcus granulosus Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Schistosoma mansoni alpha tubulin 0.0127 0.2315 0.3228
Plasmodium falciparum tubulin delta chain, putative 0.0055 0.0588 0.0827
Echinococcus multilocularis tubulin alpha 0.0127 0.2315 0.3228
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0943 0.1007
Echinococcus multilocularis beta tubulin 0.0326 0.711 0.9913
Schistosoma mansoni tubulin subunit epsilon 0.0127 0.2315 0.3228
Echinococcus granulosus tubulin subunit TubB 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.2315 0.3008
Loa Loa (eye worm) alpha-tubulin 0.0127 0.2315 0.3256
Loa Loa (eye worm) hypothetical protein 0.007 0.0943 0.1327
Echinococcus multilocularis tubulin beta 1 chain 0.0326 0.711 0.9913
Trichomonas vaginalis tubulin, putative 0.0072 0.099 0.1075
Schistosoma mansoni tubulin subunit delta 0.0055 0.0588 0.082
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0439 0.0618
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Leishmania major beta tubulin 0.0326 0.711 1
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Plasmodium vivax tubulin alpha chain, putative 0.0127 0.2315 0.3256
Brugia malayi hypothetical protein 0.0032 0.0022 0.0031
Trichomonas vaginalis tubulin, putative 0.0326 0.711 1
Leishmania major beta tubulin 0.0326 0.711 1
Plasmodium falciparum alpha tubulin 2 0.0127 0.2315 0.3256
Brugia malayi CHE-14 protein 0.0041 0.0252 0.0355
Leishmania major beta tubulin 0.0326 0.711 1
Leishmania major beta tubulin 0.0326 0.711 1
Schistosoma mansoni tubulin subunit beta 0.0326 0.711 0.9913
Plasmodium vivax tubulin gamma chain, putative 0.0127 0.2315 0.3256
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0055 0.0588 0.0489
Echinococcus granulosus tubulin alpha chain 0.0127 0.2315 0.3228
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Mycobacterium leprae Probable lipase LipE 0.007 0.0943 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.711 0.9913
Schistosoma mansoni tubulin subunit alpha 0.0055 0.0588 0.082
Toxoplasma gondii beta-tubulin, putative 0.0326 0.711 1
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0943 0.0943
Leishmania major hypothetical protein, conserved 0.0049 0.0439 0.0618
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0943 0.1327
Brugia malayi tubulin alpha chain - mouse 0.0127 0.2315 0.3256
Trichomonas vaginalis tubulin alpha chain, putative 0.0072 0.099 0.1075
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.711 0.9913
Loa Loa (eye worm) hypothetical protein 0.0041 0.0252 0.0355
Toxoplasma gondii beta-1 tubulin, putative 0.0326 0.711 1
Leishmania major alpha tubulin 0.0127 0.2315 0.3256
Schistosoma mansoni tubulin subunit gamma 0.0127 0.2315 0.3228
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1569 0.2187
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0439 0.0618
Echinococcus multilocularis tubulin gamma 1 chain 0.0127 0.2315 0.3228
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.711 0.9913
Trypanosoma cruzi tubulin delta chain 0.0055 0.0588 0.0827
Trypanosoma brucei beta tubulin 0.0326 0.711 1
Trypanosoma brucei epsilon tubulin 0.0127 0.2315 0.3256
Mycobacterium tuberculosis Conserved protein 0.007 0.0943 0.0943
Giardia lamblia Gamma tubulin 0.0127 0.2315 0.2648
Echinococcus multilocularis peroxisome assembly protein 26 0.0127 0.2315 0.3228
Schistosoma mansoni tubulin subunit beta 0.0055 0.0588 0.082
Loa Loa (eye worm) tubulin beta chain 0.0326 0.711 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0252 0.0355
Echinococcus multilocularis tubulin alpha chain 0.0127 0.2315 0.3228
Trypanosoma brucei alpha tubulin 0.0127 0.2315 0.3256
Mycobacterium tuberculosis Conserved protein 0.007 0.0943 0.0943
Brugia malayi tubulin alpha-2 chain 0.0127 0.2315 0.3256
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0439 0.0618
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0943 0.1327
Echinococcus multilocularis tubulin alpha 1C chain 0.0127 0.2315 0.3228
Leishmania major hypothetical protein, conserved 0.007 0.0943 0.1327
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0055 0.0588 0.5
Schistosoma mansoni hypothetical protein 0.0329 0.7172 1
Brugia malayi beta-lactamase family protein 0.007 0.0943 0.1327
Echinococcus granulosus tubulin alpha chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0055 0.0588 0.0489
Leishmania major beta tubulin 0.0326 0.711 1
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0439 0.0618
Echinococcus granulosus tubulin beta 1 chain 0.0326 0.711 0.9913
Trichomonas vaginalis tubulin epsilon chain, putative 0.0055 0.0588 0.0489
Trypanosoma brucei zeta tubulin, putative 0.0055 0.0588 0.0827
Mycobacterium leprae conserved hypothetical protein 0.007 0.0943 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0127 0.2315 0.3256
Trypanosoma cruzi tubulin gamma chain 0.0127 0.2315 0.3256
Echinococcus multilocularis Tubulin alpha 1 chain 0.0127 0.2315 0.3228
Giardia lamblia Alpha-tubulin 0.0127 0.2315 0.2648
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0252 0.0352
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2059 0.2896
Echinococcus multilocularis expressed conserved protein 0.009 0.1429 0.1992
Loa Loa (eye worm) tubulin alpha-2 chain 0.0127 0.2315 0.3256
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0943 0.0943
Leishmania major zeta tubulin, putative 0.0055 0.0588 0.0827
Loa Loa (eye worm) BEN-1 protein 0.0326 0.711 1
Trypanosoma cruzi tubulin delta chain 0.0055 0.0588 0.0827
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0943 0.1315
Brugia malayi beta-lactamase 0.007 0.0943 0.1327
Mycobacterium ulcerans hypothetical protein 0.007 0.0943 1
Brugia malayi beta-tubulin, identical 0.0326 0.711 1
Leishmania major beta tubulin 0.0326 0.711 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0943 1
Echinococcus multilocularis tubulin epsilon chain 0.0127 0.2315 0.3228
Trichomonas vaginalis tubulin gamma chain, putative 0.0127 0.2315 0.3008
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0055 0.0588 0.0827
Echinococcus granulosus tubulin gamma 1 chain 0.0127 0.2315 0.3228
Loa Loa (eye worm) beta-tubulin 0.0326 0.711 1
Trypanosoma cruzi alpha tubulin, putative 0.0127 0.2315 0.3256
Brugia malayi Tubulin beta chain 0.0055 0.0588 0.0827
Echinococcus granulosus beta tubulin 0.0326 0.711 0.9913
Trypanosoma brucei beta tubulin 0.0326 0.711 1
Trypanosoma brucei alpha tubulin 0.0127 0.2315 0.3256
Loa Loa (eye worm) tubulin alpha-3 chain 0.0055 0.0588 0.0827
Toxoplasma gondii ABC1 family protein 0.007 0.0943 0.1327
Echinococcus multilocularis protein patched 0.0041 0.0252 0.0352
Echinococcus granulosus peroxisome assembly protein 26 0.0127 0.2315 0.3228
Echinococcus multilocularis tubulin subunit beta 0.0326 0.711 0.9913
Trypanosoma brucei epsilon tubulin 0.0127 0.2315 0.3256
Leishmania major beta tubulin 0.0326 0.711 1
Brugia malayi MH2 domain containing protein 0.0116 0.2059 0.2896
Loa Loa (eye worm) hypothetical protein 0.0055 0.0588 0.0827
Leishmania major beta tubulin 0.0326 0.711 1
Trypanosoma brucei zeta tubulin 0.0055 0.0588 0.0827
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.2559 0.3567
Schistosoma mansoni alpha tubulin 0.0127 0.2315 0.3228
Leishmania major beta tubulin 0.0326 0.711 1
Echinococcus granulosus tubulin subunit beta 0.0326 0.711 0.9913
Plasmodium falciparum tubulin beta chain 0.0326 0.711 1
Plasmodium vivax tubulin beta chain, putative 0.0326 0.711 1
Schistosoma mansoni hypothetical protein 0.004 0.0217 0.0302
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0943 0.1315
Trypanosoma brucei tubulin delta chain 0.0055 0.0588 0.0827
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0055 0.0588 0.0827

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antiviral activity against VSV in HeLa cells at 40 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Coxsackie virus B4 in HeLa cells at 40 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Respiratory syncytial virus in HeLa cells at 40 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Parainfluenza 3 virus in vero cells assessed as reduction of virus-induced cytopathicity at 20 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Reovirus1 in vero cells assessed as reduction of virus-induced cytopathicity at 40 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Sindbis virus in vero cells assessed as reduction of virus-induced cytopathicity at 40 to >400 ug/mL ChEMBL. 17518459
Activity (functional) 0 Antiviral activity against Punta Toro virus in vero cells assessed as reduction of virus-induced cytopathicity at 20 to >400 ug/mL ChEMBL. 17518459
CC50 (ADMET) = 0.18 uM Cytotoxicity against HEL cells ChEMBL. 17518459
CC50 (ADMET) = 0.18 uM Cytotoxicity against HEL cells ChEMBL. 17518459
EC50 (functional) = 0.2 ug ml-1 Antiviral activity against Vaccinia virus in E6SM cells assessed as reduction of virus-induced cytopathogenicity ChEMBL. 17518459
EC50 (functional) = 2 ug ml-1 Antiviral activity against HSV1 KOS in E6SM cells assessed as reduction of virus-induced cytopathogenicity ChEMBL. 17518459
EC50 (functional) = 4 ug ml-1 Antiviral activity against thymidine kinase-deficient HSV1 B2006 in E6SM cells assessed as reduction of virus-induced cytopathogenicity ChEMBL. 17518459
EC50 (functional) = 7 ug ml-1 Antiviral activity against HSV2 G in E6SM cells assessed as reduction of virus-induced cytopathogenicity ChEMBL. 17518459
EC50 (functional) = 7 ug ml-1 Antiviral activity against thymidine kinase deficient HSV1 VMW1837 in E6SM cells assessed as reduction of virus-induced cytopathogenicity ChEMBL. 17518459
EC50 (functional) = 0.15 uM Antiviral activity against TK+ VZV YS in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
EC50 (functional) = 0.26 uM Antiviral activity against TK+ VZV OKA in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
EC50 (functional) = 0.69 uM Antiviral activity against thymidine kinase deficient VZV 07/1 in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
EC50 (functional) = 0.75 uM Antiviral activity against HCMV Davis in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
EC50 (functional) = 0.9 uM Antiviral activity against thymidine kinase deficient VZV YS in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
EC50 (functional) = 1.2 uM Antiviral activity against HCMV AD169 in HEL cells assessed as reduction of virus plaque formation ChEMBL. 17518459
IC50 (functional) = 0.041 uM Inhibition of proliferation of VZV thymidine kinase expressing OSTtk-/VZVtk+ -a cells ChEMBL. 17518459
IC50 (functional) = 0.16 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV1 thymidine kinase ChEMBL. 17518459
IC50 (functional) = 0.16 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV1 thymidine kinase ChEMBL. 17518459
IC50 (functional) = 0.2 uM Inhibition of proliferation of VZV thymidine kinase expressing OSTtk-/VZVtk+ -b cells ChEMBL. 17518459
IC50 (functional) = 0.23 uM Inhibition of proliferation of mouse FM3A/O cells ChEMBL. 17518459
IC50 (functional) = 0.48 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV2 thymidine kinase ChEMBL. 17518459
IC50 (functional) = 0.48 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV2 thymidine kinase ChEMBL. 17518459
IC50 (functional) = 1.6 uM Cytotoxicity against human MCF7 cells after 72 hrs ChEMBL. 17336074
IC50 (functional) = 1.6 uM Cytotoxicity against human MCF7 cells after 72 hrs ChEMBL. 17336074
IC50 (functional) = 4.2 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs ChEMBL. 17336074
IC50 (functional) = 4.2 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs ChEMBL. 17336074
IC50 (functional) = 23 uM Inhibition of proliferation of thymidine kinase deficient OST cells ChEMBL. 17518459
IC50 (functional) = 23 uM Inhibition of proliferation of thymidine kinase deficient OST cells ChEMBL. 17518459
IC50 (functional) >= 250 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells ChEMBL. 17518459
IC50 (functional) >= 250 uM Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells ChEMBL. 17518459
MCC (ADMET) > 400 ug ml-1 Cytotoxicity against E6SM cells assessed as alteration in cell morphology ChEMBL. 17518459
MCC (ADMET) > 400 ug ml-1 Cytotoxicity against E6SM cells assessed as alteration in cell morphology ChEMBL. 17518459
MCC (ADMET) = 200 uM Cytotoxicity against HEL cells assessed as alteration in cell morphology ChEMBL. 17518459
MCC (ADMET) = 200 uM Cytotoxicity against HEL cells assessed as alteration in cell morphology ChEMBL. 17518459

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 17518459
Homo sapiens ChEMBL23 17336074

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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