Detailed information for compound 428164

Basic information

Technical information
  • TDR Targets ID: 428164
  • Name: [(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S, 17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6 -methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12 ,14,15,16-dodecahydrocyclopenta[a]phenanthren -16-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
  • MW: 606.787 | Formula: C34H54O9
  • H donors: 4 H acceptors: 6 LogP: 3.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CCC(=O)[C@H]([C@@]1(O)[C@@H](O[C@@H]2OC[C@@H]([C@@H]([C@H]2OC(=O)C)O)O)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C
  • InChi: 1S/C34H54O9/c1-18(2)7-10-26(37)19(3)34(40)28(43-31-30(42-20(4)35)29(39)27(38)17-41-31)16-25-23-9-8-21-15-22(36)11-13-32(21,5)24(23)12-14-33(25,34)6/h8,18-19,22-25,27-31,36,38-40H,7,9-17H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29+,30-,31+,32+,33+,34-/m1/s1
  • InChiKey: ILGAUSYAKVWZNO-QNXLXDBBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1,5-dimethyl-2-oxo-hexyl]-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl] acetate
  • acetic acid [(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1,5-dimethyl-2-oxohexyl]-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxy-3-tetrahydropyranyl] ester
  • [(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxo-heptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxy-oxan-3-yl] ethanoate
  • acetic acid [(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3,17-dihydroxy-17-[(1S)-2-keto-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxy-tetrahydropyran-3-yl] ester

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 beta tubulin 0.0019 0.0292 0.1018
Loa Loa (eye worm) tubulin beta-1 chain 0.0019 0.0292 0.0292
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.1646 0.5626
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1267 0.4051
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0317 0.0104
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1676 0.575
Brugia malayi Tubulin alpha-2 chain 0.0036 0.0983 0.0983
Loa Loa (eye worm) tubulin alpha chain 0.0036 0.0983 0.0983
Plasmodium vivax tubulin alpha chain, putative 0.0036 0.0983 0.2872
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1676 0.2724
Trypanosoma brucei tubulin gamma chain 0.0019 0.0292 0.1081
Giardia lamblia Alpha-tubulin 0.0036 0.0983 0.2872
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0317 0.1105
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.1646 0.5626
Toxoplasma gondii alpha tubulin TUBA1 0.0036 0.0983 0.2872
Loa Loa (eye worm) tubulin beta chain 0.0019 0.0292 0.0292
Trypanosoma brucei beta tubulin 0.0019 0.0292 0.1081
Echinococcus granulosus tubulin alpha 1C chain 0.0036 0.0983 0.1361
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Loa Loa (eye worm) acetyltransferase 0.0146 0.5541 0.5541
Trichomonas vaginalis pantothenate kinase, putative 0.0077 0.2698 1
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Loa Loa (eye worm) tubulin beta-2A chain 0.0019 0.0292 0.0292
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Brugia malayi tubulin alpha chain - mouse 0.0036 0.0983 0.0983
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Plasmodium vivax tubulin alpha chain, putative 0.0036 0.0983 0.2872
Echinococcus granulosus tubulin alpha 3 chain 0.0036 0.0983 0.1361
Echinococcus granulosus peroxisome assembly protein 26 0.0036 0.0983 0.1361
Trypanosoma cruzi alpha tubulin, putative 0.0036 0.0983 0.3429
Brugia malayi MAP kinase sur-1 0.0053 0.1676 0.1676
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1267 0.4051
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0317 0.0104
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1267 0.4051
Entamoeba histolytica tubulin alpha-1 chain 0.0036 0.0983 0.2872
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0317 0.1105
Brugia malayi Tubulin alpha chain 0.0036 0.0983 0.0983
Brugia malayi Tubulin beta-1 chain 0.0019 0.0292 0.0292
Brugia malayi Tubulin alpha-2 chain 0.0036 0.0983 0.0983
Loa Loa (eye worm) tubulin alpha chain 0.0036 0.0983 0.0983
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1342 0.4362
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1676 0.5846
Loa Loa (eye worm) hypothetical protein 0.0025 0.0527 0.0527
Schistosoma mansoni alpha tubulin 0.0036 0.0983 0.1317
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0028 0.0633 0.1419
Trypanosoma brucei pantothenate kinase subunit, putative 0.0077 0.2698 1
Trypanosoma cruzi epsilon tubulin, putative 0.0019 0.0292 0.1018
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0317 0.0104
Loa Loa (eye worm) alpha-tubulin 0.0036 0.0983 0.0983
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1676 0.575
Echinococcus multilocularis tubulin alpha chain 0.0036 0.0983 0.1317
Plasmodium falciparum alpha tubulin 2 0.0036 0.0983 0.2872
Plasmodium vivax pantothenate kinase, putative 0.0077 0.2698 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1267 0.4051
Loa Loa (eye worm) tubulin alpha-3 chain 0.0025 0.0527 0.0527
Brugia malayi hypothetical protein 0.0052 0.1646 0.1646
Schistosoma mansoni tubulin subunit alpha 0.0036 0.0983 0.1317
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.1646 0.5626
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Entamoeba histolytica tubulin alpha chain, putative 0.0036 0.0983 0.2872
Echinococcus granulosus pantothenate kinase 4 0.0077 0.2698 0.4738
Schistosoma mansoni hypothetical protein 0.0023 0.0455 0.0311
Giardia lamblia Alpha-tubulin 0.0036 0.0983 0.2872
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0317 0.5
Loa Loa (eye worm) alpha-tubulin 0.0036 0.0983 0.0983
Echinococcus granulosus Tubulin alpha 1 chain 0.0036 0.0983 0.1361
Trichomonas vaginalis pantothenate kinase, putative 0.0077 0.2698 1
Echinococcus granulosus tubulin alpha 3 chain 0.0036 0.0983 0.1361
Trichomonas vaginalis pantothenate kinase, putative 0.0077 0.2698 1
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1676 0.575
Echinococcus multilocularis tubulin alpha chain 0.0036 0.0983 0.1317
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.1646 0.5626
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0317 0.0317
Leishmania major epsilon tubulin, putative 0.0019 0.0292 0.1018
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0455 0.0321
Schistosoma mansoni alpha tubulin 0.0036 0.0983 0.1317
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1267 0.4051
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0317 0.0104
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0317 0.5
Leishmania major gamma-tubulin 0.0019 0.0292 0.1018
Echinococcus multilocularis tubulin alpha 3 chain 0.0036 0.0983 0.1317
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1118 0.3435
Loa Loa (eye worm) pantothenate kinase 0.0077 0.2698 0.2698
Brugia malayi hypothetical protein 0.0034 0.088 0.088
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Brugia malayi Tubulin gamma chain 0.0019 0.0292 0.0292
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1646 0.5742
Trypanosoma brucei alpha tubulin 0.0036 0.0983 0.3642
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1676 0.575
Echinococcus multilocularis hypothetical protein 0.0036 0.0983 0.1317
Schistosoma mansoni tubulin subunit alpha 0.0036 0.0983 0.1317
Loa Loa (eye worm) tubulin beta-4 chain 0.0019 0.0292 0.0292
Echinococcus granulosus tubulin alpha chain 0.0036 0.0983 0.1361
Echinococcus multilocularis tubulin alpha 1C chain 0.0036 0.0983 0.1317
Trypanosoma brucei alpha tubulin 0.0036 0.0983 0.3642
Leishmania major pantothenate kinase subunit, putative 0.0081 0.2866 1
Echinococcus granulosus tubulin alpha chain 0.0036 0.0983 0.1361
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0317 0.0104
Schistosoma mansoni ap endonuclease 0.002 0.0317 0.0048
Echinococcus multilocularis tubulin alpha chain 0.0036 0.0983 0.1317
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1676 0.2636
Loa Loa (eye worm) tubulin alpha 2 0.0028 0.0633 0.0633
Trichomonas vaginalis pantothenate kinase, putative 0.0077 0.2698 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0983 0.0983
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0455 0.0311
Toxoplasma gondii exonuclease III APE 0.002 0.0317 0.0104
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0036 0.0983 0.2872
Echinococcus multilocularis peroxisome assembly protein 26 0.0036 0.0983 0.1317
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0317 0.0048
Trypanosoma cruzi beta tubulin, putative 0.0019 0.0292 0.1018
Echinococcus multilocularis Tubulin alpha 1 chain 0.0036 0.0983 0.1317
Loa Loa (eye worm) hypothetical protein 0.0028 0.0633 0.0633
Trichomonas vaginalis tubulin epsilon chain, putative 0.0036 0.0983 0.2872
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0317 0.0317
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0317 0.0104
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0317 0.0049
Loa Loa (eye worm) BEN-1 protein 0.0019 0.0292 0.0292
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Schistosoma mansoni ap endonuclease 0.002 0.0317 0.0048
Giardia lamblia Pantothenate kinase 4 0.0077 0.2698 1
Brugia malayi beta-tubulin, identical 0.0019 0.0292 0.0292
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1646 0.5742
Echinococcus granulosus Tubulin alpha 1 chain 0.0036 0.0983 0.1361
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0843 0.2291
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Toxoplasma gondii fumble protein 0.0077 0.2698 1
Brugia malayi pantothenate kinase family protein 0.0077 0.2698 0.2698
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0081 0.2866 1
Trypanosoma brucei epsilon tubulin 0.0019 0.0292 0.1081
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1676 0.575
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1118 0.3435
Echinococcus multilocularis tubulin alpha 1C chain 0.0036 0.0983 0.1317
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Echinococcus granulosus tubulin alpha chain 0.0036 0.0983 0.1361
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0077 0.2698 0.9415
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1676 0.1676
Onchocerca volvulus Huntingtin homolog 0.0253 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1676 0.5846
Echinococcus multilocularis pantothenate kinase 4 0.0077 0.2698 0.4585
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1676 0.2636
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0028 0.0633 0.0633
Trichomonas vaginalis tubulin epsilon chain, putative 0.0036 0.0983 0.2872
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Loa Loa (eye worm) hypothetical protein 0.0052 0.1646 0.1646
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Echinococcus granulosus tubulin alpha chain 0.0036 0.0983 0.1361
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1397 0.1397
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0317 1
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1676 0.5846
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1676 0.5846
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.5541 1
Trichomonas vaginalis pantothenate kinase, putative 0.0077 0.2698 1
Plasmodium falciparum pantothenate kinase 2, putative 0.0033 0.0843 0.2291
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Loa Loa (eye worm) tubulin alpha 2 0.0017 0.0177 0.0177
Echinococcus granulosus Tubulin alpha 1 chain 0.0036 0.0983 0.1361
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.5371 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0036 0.0983 0.1317
Echinococcus multilocularis tubulin alpha chain 0.0036 0.0983 0.1317
Leishmania major alpha tubulin 0.0036 0.0983 0.3429
Plasmodium falciparum alpha tubulin 1 0.0036 0.0983 0.2872
Trypanosoma cruzi tubulin gamma chain 0.0019 0.0292 0.1018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1397 0.2106
Toxoplasma gondii pantothenate kinase 0.0033 0.0843 0.2291
Onchocerca volvulus Huntingtin homolog 0.0253 1 1
Trypanosoma brucei epsilon tubulin 0.0019 0.0292 0.1081
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.5541 0.5541
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1676 0.2724
Echinococcus multilocularis tubulin alpha chain 0.0036 0.0983 0.1317
Echinococcus granulosus tubulin alpha chain 0.0036 0.0983 0.1361
Loa Loa (eye worm) tubulin gamma chain 0.0019 0.0292 0.0292
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Schistosoma mansoni tubulin subunit alpha 0.0036 0.0983 0.1317
Echinococcus multilocularis tubulin alpha 3 chain 0.0036 0.0983 0.1317
Echinococcus granulosus tubulin subunit TubB 0.0036 0.0983 0.1361
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1397 0.2106
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1118 0.3435
Trypanosoma brucei beta tubulin 0.0019 0.0292 0.1081
Trypanosoma cruzi epsilon tubulin, putative 0.0019 0.0292 0.1018
Loa Loa (eye worm) beta-tubulin 0.0019 0.0292 0.0292
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1267 0.192
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0317 0.1174
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0317 0.1105
Echinococcus granulosus tubulin alpha 1C chain 0.0036 0.0983 0.1361
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1676 0.621
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0983 0.2872
Echinococcus multilocularis Tubulin alpha 1 chain 0.0036 0.0983 0.1317
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0025 0.0527 0.0978
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1676 0.5846
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Trypanosoma brucei beta tubulin 0.0019 0.0292 0.1081
Trypanosoma brucei alpha tubulin 0.0036 0.0983 0.3642
Toxoplasma gondii alpha-tubulin I, putative 0.0036 0.0983 0.2872
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1676 0.2636
Plasmodium falciparum pantothenate kinase 1, putative 0.0077 0.2698 1
Schistosoma mansoni pantothenate kinase 0.0077 0.2698 0.4585
Trypanosoma brucei epsilon tubulin 0.0019 0.0292 0.1081
Loa Loa (eye worm) BEN-1 protein 0.0019 0.0292 0.0292
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1676 0.5846
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1397 0.2106
Echinococcus granulosus alpha tubulin 0.0036 0.0983 0.1361
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Leishmania major hypothetical protein, conserved 0.0052 0.1646 0.5742
Loa Loa (eye worm) tubulin alpha 2 0.0028 0.0633 0.0633
Trypanosoma brucei protein kinase, putative 0.0053 0.1676 0.621
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Brugia malayi alpha-tubulin 0.0036 0.0983 0.0983
Entamoeba histolytica pantothenate kinase 1, putative 0.0077 0.2698 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1397 0.2106
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1676 0.575
Schistosoma mansoni pantothenate kinase 0.0077 0.2698 0.4585
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1397 0.2176
Trypanosoma brucei beta tubulin 0.0019 0.0292 0.1081
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.1646 0.6099
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1397 0.1397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1397 0.2106
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1397 0.2176
Loa Loa (eye worm) tubulin alpha-2 chain 0.0036 0.0983 0.0983
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0317 0.5
Schistosoma mansoni alpha tubulin 0.0036 0.0983 0.1317
Brugia malayi tubulin alpha-2 chain 0.0036 0.0983 0.0983
Trypanosoma brucei beta tubulin 0.0019 0.0292 0.1081
Leishmania major beta tubulin 0.0019 0.0292 0.1018
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.5541 1
Echinococcus multilocularis tubulin subunit TubB 0.0036 0.0983 0.1317
Trypanosoma brucei alpha tubulin 0.0036 0.0983 0.3642

Activities

Activity type Activity value Assay description Source Reference
TCS50 (functional) = 200 nM Cytotoxicity against CEM cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 200 nM Cytotoxicity against CEM cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 430 nM Cytotoxicity against K562 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 430 nM Cytotoxicity against K562 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 570 nM Cytotoxicity against HeLa cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 570 nM Cytotoxicity against HeLa cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 1300 nM Cytotoxicity against MCF7 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 1300 nM Cytotoxicity against MCF7 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 1950 nM Cytotoxicity against ARN8 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 2200 nM Cytotoxicity against human G361 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 2200 nM Cytotoxicity against human G361 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 4200 nM Cytotoxicity against HOS cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 4200 nM Cytotoxicity against A549 cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 4200 nM Cytotoxicity against HOS cells after 72 hrs ChEMBL. 17608396
TCS50 (functional) = 4200 nM Cytotoxicity against A549 cells after 72 hrs ChEMBL. 17608396
TCS50 (ADMET) > 50000 nM Cytotoxicity against mouse NIH 3T3 cells after 72 hrs ChEMBL. 17608396

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

1 literature reference was collected for this gene.

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