Detailed information for compound 1013334

Basic information

Technical information
  • TDR Targets ID: 1013334
  • Name: 1-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R ,6R)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy- 14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,1 1,12,15,16,17-tetradecahydrocyclopenta[a]phen anthren-17-yl]ethanone
  • MW: 477.676 | Formula: C28H47NO5
  • H donors: 2 H acceptors: 2 LogP: 3.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@H]3C(=O)C)C)C)O[C@@H]([C@H]1N)C
  • InChi: 1S/C28H47NO5/c1-16(30)20-10-13-28(31)22-7-6-18-14-19(34-24-15-23(32-5)25(29)17(2)33-24)8-11-26(18,3)21(22)9-12-27(20,28)4/h17-25,31H,6-15,29H2,1-5H3/t17-,18+,19+,20+,21+,22-,23+,24+,25-,26+,27-,28+/m1/s1
  • InChiKey: XNPZZOKPHOMJPJ-UEYLWJOPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-amino-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 1-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[[(2R,4S,5R,6R)-5-amino-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 1-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-amino-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

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
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Echinococcus granulosus Tubulin beta 2C chain 0.0564 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.057 0.0497
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0191 0.0116
Entamoeba histolytica tubulin family protein 0.0564 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.0249 0.0637
Echinococcus granulosus heat shock protein 90 0.0032 0.0238 0.0163
Echinococcus multilocularis chromobox protein 1 0.0073 0.0995 0.0926
Loa Loa (eye worm) hypothetical protein 0.0032 0.0245 0.0177
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Plasmodium falciparum tubulin beta chain 0.0564 1 1
Schistosoma mansoni tubulin subunit alpha 0.0442 0.7756 0.7739
Echinococcus granulosus chromobox protein 1 0.0073 0.0995 0.0926
Echinococcus granulosus chromobox protein 1 0.0073 0.0995 0.0926
Loa Loa (eye worm) alpha-tubulin 0.0442 0.7756 0.774
Trichomonas vaginalis tubulin epsilon chain, putative 0.0135 0.214 0.2129
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0238 0.0238
Plasmodium vivax endoplasmin, putative 0.0032 0.0238 0.0048
Brugia malayi Tubulin alpha chain 0.0442 0.7756 0.7712
Giardia lamblia Delta tubulin 0.0135 0.214 0.2044
Brugia malayi beta-tubulin, identical 0.0564 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0564 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.214 0.2129
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Onchocerca volvulus 0.0041 0.041 0.0452
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0249 0.0059
Echinococcus granulosus Tubulin beta 2C chain 0.0564 1 1
Loa Loa (eye worm) tubulin beta chain 0.0135 0.214 0.2085
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Loa Loa (eye worm) hypothetical protein 0.0265 0.452 0.4482
Brugia malayi MH2 domain containing protein 0.0117 0.1794 0.1634
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Echinococcus granulosus tubulin alpha chain 0.0442 0.7756 0.7739
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Trypanosoma brucei alpha tubulin 0.0442 0.7756 0.7701
Brugia malayi Tubulin alpha-2 chain 0.0442 0.7756 0.7712
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0442 0.7756 0.7753
Plasmodium vivax heat shock protein 86, putative 0.0032 0.0238 0.0048
Echinococcus multilocularis tubulin epsilon chain 0.0312 0.5375 0.534
Trichomonas vaginalis tubulin gamma chain, putative 0.0312 0.5375 0.5369
Echinococcus multilocularis pyruvate kinase 0.0032 0.0249 0.0174
Leishmania major beta tubulin 0.0564 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1349 0.1289
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0191 0.0116
Trypanosoma brucei beta tubulin 0.0312 0.5375 0.5262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.057 0.0497
Echinococcus multilocularis tubulin alpha chain 0.0442 0.7756 0.7739
Trypanosoma cruzi tubulin gamma chain 0.0312 0.5375 0.5375
Leishmania major beta tubulin 0.0564 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0442 0.7756 0.7753
Plasmodium vivax delta tubulin, putative 0.0135 0.214 0.1987
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0249 0.0059
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Loa Loa (eye worm) hypothetical protein 0.0442 0.7756 0.774
Brugia malayi hypothetical protein 0.0051 0.0592 0.0409
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0171 0.0096
Trichomonas vaginalis tubulin alpha chain, putative 0.0177 0.2892 0.2883
Brugia malayi Tubulin gamma chain 0.0312 0.5375 0.5285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0191 0.0116
Leishmania major beta tubulin 0.0564 1 1
Toxoplasma gondii beta tubulin 0.0564 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0564 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0592 0.0362
Echinococcus granulosus tubulin gamma 1 chain 0.0312 0.5375 0.534
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.057 0.0497
Echinococcus granulosus Tubulin beta 2C chain 0.0564 1 1
Giardia lamblia Alpha-tubulin 0.0442 0.7756 0.7729
Onchocerca volvulus 0.0177 0.2892 0.725
Trypanosoma cruzi heat shock protein 90, putative 0.0032 0.0238 0.0238
Loa Loa (eye worm) tubulin alpha chain 0.0442 0.7756 0.774
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.012 0.0044
Leishmania major pyruvate kinase 0.0032 0.0249 0.013
Mycobacterium leprae cell division protein FtsZ 0.0135 0.214 1
Echinococcus granulosus tubulin alpha chain 0.0442 0.7756 0.7739
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Plasmodium vivax tubulin beta chain, putative 0.0564 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0312 0.5375 0.5375
Trichomonas vaginalis tubulin alpha chain, putative 0.0177 0.2892 0.2883
Leishmania major beta tubulin 0.0564 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0191 0.0116
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0592 0.0592
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Schistosoma mansoni pyruvate kinase 0.0032 0.0249 0.0174
Trypanosoma brucei tubulin gamma chain 0.0312 0.5375 0.5262
Echinococcus multilocularis pyruvate kinase 0.0032 0.0249 0.0174
Brugia malayi Tubulin beta chain 0.0177 0.2892 0.2754
Schistosoma mansoni chromobox protein 0.0073 0.0995 0.0926
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Echinococcus granulosus alpha tubulin 0.0442 0.7756 0.7739
Echinococcus granulosus tubulin beta 4A class IVa 0.0564 1 1
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0238 0.0225
Leishmania major beta tubulin 0.0564 1 1
Brugia malayi Tubulin beta chain 0.0135 0.214 0.1987
Trichomonas vaginalis tubulin gamma chain, putative 0.0312 0.5375 0.5369
Loa Loa (eye worm) hypothetical protein 0.0033 0.0261 0.0193
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1794 0.1736
Loa Loa (eye worm) tubulin alpha-2 chain 0.0442 0.7756 0.774
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0188 0.0175
Trypanosoma brucei beta tubulin 0.0564 1 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0464 0.0451
Toxoplasma gondii heat shock protein HSP90 0.0032 0.0238 0.0048
Leishmania major beta tubulin 0.0564 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Plasmodium vivax tubulin gamma chain, putative 0.0312 0.5375 0.5285
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Brugia malayi hypothetical protein 0.0092 0.1349 0.1181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0191 0.0116
Leishmania major gamma-tubulin 0.0312 0.5375 0.5319
Trypanosoma brucei zeta tubulin, putative 0.0135 0.214 0.1948
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0995 0.0932
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0249 0.0637
Giardia lamblia Beta tubulin 0.0564 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0312 0.5375 0.5369
Trypanosoma brucei alpha tubulin 0.0442 0.7756 0.7701
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0464 0.0451
Mycobacterium tuberculosis Cell division protein FtsZ 0.0135 0.214 1
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0541 0.0357
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Echinococcus multilocularis heat shock protein 90 0.0032 0.0238 0.0163
Echinococcus granulosus tubulin alpha chain 0.0442 0.7756 0.7739
Echinococcus granulosus tubulin alpha 0.0312 0.5375 0.534
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Brugia malayi Cell division protein ftsZ 0.0135 0.214 0.1987
Echinococcus multilocularis Tubulin beta 2C chain 0.0564 1 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0249 0.0059
Echinococcus multilocularis tubulin delta chain 0.0135 0.214 0.2079
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0249 0.0637
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1794 0.1736
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3897 0.3888
Leishmania major beta tubulin 0.0564 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0442 0.7756 0.774
Loa Loa (eye worm) hypothetical protein 0.0306 0.5273 0.524
Leishmania major beta tubulin 0.0564 1 1
Echinococcus multilocularis endoplasmin 0.0025 0.012 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0407 0.0394
Entamoeba histolytica tubulin family protein 0.0564 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Schistosoma mansoni alpha tubulin 0.0442 0.7756 0.7739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.057 0.0504
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Trichomonas vaginalis tubulin, putative 0.0135 0.214 0.2129
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0177 0.2892 0.2883
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.057 0.0497
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Schistosoma mansoni alpha tubulin 0.0442 0.7756 0.7739
Schistosoma mansoni tubulin subunit alpha 0.0442 0.7756 0.7739
Echinococcus granulosus tubulin alpha 1C chain 0.0442 0.7756 0.7739
Giardia lamblia Alpha-tubulin 0.0442 0.7756 0.7729
Echinococcus multilocularis geminin 0.0332 0.5744 0.5712
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0995 0.0983
Echinococcus granulosus Tubulin beta 2C chain 0.0564 1 1
Loa Loa (eye worm) tubulin beta chain 0.0564 1 1
Schistosoma mansoni hypothetical protein 0.0332 0.5744 0.5712
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0306 0.5273 0.5266
Brugia malayi Tubulin alpha-2 chain 0.0442 0.7756 0.7712
Trichomonas vaginalis heat shock protein, putative 0.0025 0.012 0.0107
Leishmania major zeta tubulin, putative 0.0135 0.214 0.2044
Schistosoma mansoni hypothetical protein 0.0332 0.5744 0.5712
Echinococcus multilocularis Tubulin beta 2C chain 0.0564 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0564 1 1
Onchocerca volvulus 0.0231 0.3897 1
Giardia lamblia Epsilon tubulin 0.0135 0.214 0.2044
Loa Loa (eye worm) tubulin beta-4 chain 0.0564 1 1
Trypanosoma brucei beta tubulin 0.0564 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0442 0.7756 0.7753
Loa Loa (eye worm) tubulin alpha 2 0.0306 0.5273 0.524
Trypanosoma brucei epsilon tubulin 0.0312 0.5375 0.5262
Trichomonas vaginalis heat shock protein, putative 0.0025 0.012 0.0107
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0238 0.0238
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0249 0.001
Echinococcus multilocularis beta tubulin 0.0564 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0025 0.012 0.012
Plasmodium falciparum tubulin gamma chain 0.0312 0.5375 0.5369
Schistosoma mansoni tubulin subunit epsilon 0.0312 0.5375 0.534
Giardia lamblia Gamma tubulin 0.0312 0.5375 0.5319
Loa Loa (eye worm) hypothetical protein 0.0048 0.0541 0.0475
Plasmodium falciparum tubulin epsilon chain, putative 0.0312 0.5375 0.5369
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0249 0.001
Loa Loa (eye worm) tubulin beta-1 chain 0.0564 1 1
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Schistosoma mansoni tubulin subunit gamma 0.0312 0.5375 0.534
Trypanosoma brucei beta tubulin 0.0564 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0312 0.5375 0.5375
Echinococcus multilocularis tubulin alpha 0.0312 0.5375 0.534
Toxoplasma gondii heat shock protein 90, putative 0.0032 0.0238 0.0048
Echinococcus granulosus tubulin alpha 3 chain 0.0442 0.7756 0.7739
Trichomonas vaginalis heat shock protein, putative 0.0025 0.012 0.0107
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0592 0.0592
Giardia lamblia Heat shock protein HSP 90-alpha 0.0032 0.0238 0.012
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0135 0.214 0.1987
Schistosoma mansoni tubulin subunit alpha 0.0442 0.7756 0.7739
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0135 0.214 0.2129
Trichomonas vaginalis tubulin alpha chain, putative 0.0564 1 1
Giardia lamblia Beta tubulin 0.0564 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0442 0.7756 0.7739
Echinococcus multilocularis Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Echinococcus multilocularis tubulin alpha 3 chain 0.0442 0.7756 0.7739
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Brugia malayi chromobox protein homolog 3 0.0041 0.0407 0.022
Echinococcus granulosus Tubulin beta 2C chain 0.0564 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0564 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0592 0.0579
Toxoplasma gondii alpha tubulin TUBA1 0.0442 0.7756 0.7712
Toxoplasma gondii alpha-tubulin I, putative 0.0442 0.7756 0.7712
Leishmania major hypothetical protein, conserved 0.0051 0.0592 0.0478
Echinococcus multilocularis tubulin subunit TubB 0.0442 0.7756 0.7739
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0249 0.018
Brugia malayi Pre-SET motif family protein 0.0203 0.3382 0.3253
Echinococcus multilocularis tubulin alpha 1C chain 0.0442 0.7756 0.7739
Brugia malayi tubulin alpha chain - mouse 0.0442 0.7756 0.7712
Plasmodium falciparum pyruvate kinase 0.0032 0.0249 0.0235
Echinococcus multilocularis tubulin alpha 1C chain 0.0442 0.7756 0.7739
Toxoplasma gondii beta-tubulin, putative 0.0564 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0249 0.001
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.057 0.0386
Loa Loa (eye worm) tubulin gamma chain 0.0312 0.5375 0.5343
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0541 0.0357
Plasmodium falciparum heat shock protein 90 0.0032 0.0238 0.0225
Plasmodium vivax tubulin epsilon chain, putative 0.0312 0.5375 0.5285
Trypanosoma cruzi zeta tubulin, putative 0.0135 0.214 0.214
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0188 0.0175
Schistosoma mansoni tubulin subunit beta 0.0135 0.214 0.2079
Trichomonas vaginalis tubulin, putative 0.0564 1 1
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0135 0.214 1
Echinococcus granulosus heat shock protein 0.0032 0.0238 0.0163
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0238 0.017
Echinococcus granulosus Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Plasmodium vivax tubulin alpha chain, putative 0.0442 0.7756 0.7712
Loa Loa (eye worm) BEN-1 protein 0.0564 1 1
Echinococcus granulosus beta tubulin 0.0564 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0592 0.0409
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0995 0.0983
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.057 0.0497
Echinococcus granulosus Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Echinococcus multilocularis tubulin alpha chain 0.0442 0.7756 0.7739
Leishmania major beta tubulin 0.0564 1 1
Entamoeba histolytica tubulin gamma chain 0.0312 0.5375 0.5343
Leishmania major beta tubulin 0.0564 1 1
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Plasmodium falciparum tubulin delta chain, putative 0.0135 0.214 0.2129
Echinococcus granulosus tubulin alpha chain 0.0442 0.7756 0.7739
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Trypanosoma brucei alpha tubulin, putative 0.0177 0.2892 0.2719
Trypanosoma brucei alpha tubulin 0.0442 0.7756 0.7701
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0249 0.018
Echinococcus multilocularis hypothetical protein 0.0442 0.7756 0.7739
Entamoeba histolytica tubulin alpha-1 chain 0.0442 0.7756 0.774
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0249 0.0235
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.057 0.0497
Loa Loa (eye worm) tubulin alpha 2 0.013 0.2037 0.1981
Loa Loa (eye worm) alpha-tubulin 0.0442 0.7756 0.774
Trypanosoma brucei epsilon tubulin 0.0312 0.5375 0.5262
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.3382 0.3336
Echinococcus granulosus tubulin subunit beta 0.0564 1 1
Trypanosoma brucei beta tubulin 0.0564 1 1
Brugia malayi heat shock protein 90 0.0032 0.0238 0.0048
Schistosoma mansoni endoplasmin 0.0032 0.0238 0.0163
Plasmodium vivax tubulin alpha chain, putative 0.0442 0.7756 0.7712
Brugia malayi hypothetical protein 0.0033 0.026 0.0071
Loa Loa (eye worm) endoplasmin 0.0032 0.0238 0.017
Leishmania major beta tubulin 0.0564 1 1
Trypanosoma brucei zeta tubulin 0.0135 0.214 0.1948
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0249 0.018
Echinococcus granulosus endoplasmin 0.0025 0.012 0.0044
Echinococcus granulosus pyruvate kinase 0.0032 0.0249 0.0174
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.2892 0.2883
Trichomonas vaginalis tubulin beta chain, putative 0.0442 0.7756 0.7753
Trichomonas vaginalis tubulin gamma chain, putative 0.0135 0.214 0.2129
Leishmania major beta tubulin 0.0564 1 1
Loa Loa (eye worm) beta-tubulin 0.0564 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0265 0.452 0.4482
Echinococcus multilocularis tubulin subunit beta 0.0564 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Schistosoma mansoni alpha tubulin 0.0442 0.7756 0.7739
Echinococcus multilocularis Tubulin beta 2C chain 0.0564 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0442 0.7756 0.7739
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0464 0.06
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.041 0.0336
Loa Loa (eye worm) hypothetical protein 0.0041 0.0407 0.034
Echinococcus multilocularis Tubulin beta 2C chain 0.0564 1 1
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Echinococcus granulosus beta tubulin 0.0564 1 1
Trypanosoma cruzi beta tubulin, putative 0.0564 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0025 0.012 0.012
Schistosoma mansoni heat shock protein 0.0032 0.0238 0.0163
Treponema pallidum cell division protein FtsZ 0.0135 0.214 1
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Schistosoma mansoni pyruvate kinase 0.0032 0.0249 0.0174
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0238 0.0238
Trichomonas vaginalis tubulin, putative 0.0177 0.2892 0.2883
Echinococcus granulosus heat shock protein 90 0.0025 0.012 0.0044
Brugia malayi tubulin alpha-2 chain 0.0442 0.7756 0.7712
Loa Loa (eye worm) hypothetical protein 0.0092 0.1349 0.1289
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0592 0.0409
Trypanosoma cruzi zeta tubulin, putative 0.0135 0.214 0.214
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Echinococcus granulosus tubulin alpha 1C chain 0.0442 0.7756 0.7739
Entamoeba histolytica tubulin alpha chain, putative 0.0442 0.7756 0.774
Loa Loa (eye worm) tubulin alpha 2 0.0306 0.5273 0.524
Echinococcus granulosus pyruvate kinase 0.0032 0.0249 0.0174
Leishmania major delta tubulin, putative 0.0135 0.214 0.2044
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0249 0.0059
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0249 0.0249
Leishmania major beta tubulin 0.0564 1 1
Trichomonas vaginalis tubulin, putative 0.0177 0.2892 0.2883
Echinococcus multilocularis tubulin alpha chain 0.0442 0.7756 0.7739
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Loa Loa (eye worm) hypothetical protein 0.0032 0.0249 0.018
Schistosoma mansoni tubulin subunit alpha 0.0135 0.214 0.2079
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0541 0.0475
Echinococcus granulosus tubulin subunit TubB 0.0442 0.7756 0.7739
Trypanosoma brucei tubulin delta chain 0.0135 0.214 0.1948
Leishmania major beta tubulin 0.0564 1 1
Leishmania major pyruvate kinase 0.0032 0.0249 0.013
Echinococcus granulosus tubulin alpha chain 0.0442 0.7756 0.7739
Echinococcus multilocularis heat shock protein 0.0032 0.0238 0.0163
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Schistosoma mansoni heat shock protein 0.0032 0.0238 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0407 0.0394
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0191 0.0116
Echinococcus granulosus Tubulin alpha 1 chain 0.0442 0.7756 0.7739
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Leishmania major alpha tubulin 0.0442 0.7756 0.7729
Trichomonas vaginalis tubulin epsilon chain, putative 0.0564 1 1
Trypanosoma cruzi tubulin delta chain 0.0135 0.214 0.214
Trichomonas vaginalis tubulin epsilon chain, putative 0.0564 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0135 0.214 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0249 0.001
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0238 0.017
Brugia malayi Endoplasmin precursor 0.0032 0.0238 0.0048
Echinococcus multilocularis tubulin alpha chain 0.0442 0.7756 0.7739
Plasmodium falciparum alpha tubulin 1 0.0442 0.7756 0.7753
Echinococcus granulosus tubulin epsilon chain 0.0312 0.5375 0.534
Echinococcus granulosus tubulin beta 1 chain 0.0564 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.214 0.2129
Trypanosoma cruzi Heat shock protein 83, putative 0.0032 0.0238 0.0238
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0051 0.0592 0.0526
Brugia malayi Heterochromatin protein 1 0.0073 0.0995 0.082
Echinococcus multilocularis chromobox protein 1 0.0073 0.0995 0.0926
Echinococcus multilocularis tubulin gamma 1 chain 0.0312 0.5375 0.534
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Schistosoma mansoni eyes absent homolog 0.0092 0.1349 0.1283
Giardia lamblia Beta tubulin 0.0564 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0312 0.5375 0.5285
Trypanosoma brucei epsilon tubulin 0.0312 0.5375 0.5262
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0249 0.001
Loa Loa (eye worm) heat shock protein 90 0.0032 0.0238 0.017
Echinococcus granulosus tubulin alpha 3 chain 0.0442 0.7756 0.7739
Schistosoma mansoni tubulin subunit delta 0.0135 0.214 0.2079
Leishmania major heat shock protein 83-1 0.0032 0.0238 0.012
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0306 0.5273 0.524
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Trypanosoma cruzi tubulin delta chain 0.0135 0.214 0.214
Leishmania major beta tubulin 0.0564 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0249 0.0235
Echinococcus granulosus peroxisome assembly protein 26 0.0442 0.7756 0.7739
Echinococcus multilocularis pyruvate kinase 0.0025 0.0124 0.0048
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0135 0.214 0.1987
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0261 0.0072
Plasmodium falciparum alpha tubulin 2 0.0442 0.7756 0.7753
Chlamydia trachomatis pyruvate kinase 0.0032 0.0249 0.5
Leishmania major beta tubulin 0.0564 1 1
Leishmania major epsilon tubulin, putative 0.0312 0.5375 0.5319
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0592 0.0579
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.057 0.0497
Loa Loa (eye worm) tubulin beta-2A chain 0.0564 1 1
Echinococcus multilocularis heat shock protein 90 0.0025 0.012 0.0044
Leishmania major beta tubulin 0.0564 1 1
Brugia malayi alpha-tubulin 0.0442 0.7756 0.7712
Echinococcus granulosus tubulin delta chain 0.0135 0.214 0.2079
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0407 0.0444
Trypanosoma brucei alpha tubulin 0.0442 0.7756 0.7701
Echinococcus multilocularis tubulin beta 1 chain 0.0564 1 1
Giardia lamblia Pyruvate kinase 0.0032 0.0249 0.013
Loa Loa (eye worm) hypothetical protein 0.0029 0.0191 0.0122
Brugia malayi Tubulin alpha chain 0.0135 0.214 0.1987
Schistosoma mansoni hypothetical protein 0.0033 0.0261 0.0187
Schistosoma mansoni endoplasmin 0.0032 0.0238 0.0163
Trichomonas vaginalis tubulin alpha chain, putative 0.0177 0.2892 0.2883
Toxoplasma gondii beta-1 tubulin, putative 0.0564 1 1
Echinococcus multilocularis beta tubulin 0.0564 1 1
Loa Loa (eye worm) BEN-1 protein 0.0564 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0265 0.452 0.4513
Schistosoma mansoni tubulin subunit beta 0.0564 1 1
Echinococcus granulosus geminin 0.0332 0.5744 0.5712
Trypanosoma cruzi alpha tubulin, putative 0.0442 0.7756 0.7756
Echinococcus multilocularis tubulin alpha chain 0.0442 0.7756 0.7739
Schistosoma mansoni chromobox protein 0.0073 0.0995 0.0926
Leishmania major beta tubulin 0.0564 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.21 ug ml-1 Cytotoxicity against human HL60 cells after 3 days by MTT assay ChEMBL. 9834146
IC50 (functional) = 6.25 ug ml-1 Antileishmanial activity against Leishmania donovani promastigotes after 6 to 7 hrs ChEMBL. 9834146
IC50 (functional) = 10.2 ug ml-1 Cytotoxicity against vincristine-resistant mouse P388 cells after 3 days by MTT assay ChEMBL. 9834146
IC50 (functional) = 10.5 ug ml-1 Cytotoxicity against mouse P388 cells after 3 days by MTT assay ChEMBL. 9834146
IC50 (functional) = 13.5 ug ml-1 Cytotoxicity against adriamycin-resistant mouse P388 cells after 3 days by MTT assay ChEMBL. 9834146

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 9834146
Leishmania donovani ChEMBL23 9834146
Homo sapiens ChEMBL23 9834146

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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