Detailed information for compound 1398835

Basic information

Technical information
  • TDR Targets ID: 1398835
  • Name: 6-bromo-1-[[(3,4-dimethoxyphenyl)methyl-methy lamino]methyl]naphthalen-2-ol
  • MW: 416.308 | Formula: C21H22BrNO3
  • H donors: 1 H acceptors: 1 LogP: 4.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CN(Cc1c(O)ccc2c1ccc(c2)Br)C
  • InChi: 1S/C21H22BrNO3/c1-23(12-14-4-9-20(25-2)21(10-14)26-3)13-18-17-7-6-16(22)11-15(17)5-8-19(18)24/h4-11,24H,12-13H2,1-3H3
  • InChiKey: FNYWYXXHXCTCHN-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-bromo-1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]naphthalen-2-ol
  • 6-bromo-1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-naphthalenol
  • 6-bromo-1-[[(3,4-dimethoxybenzyl)-methyl-amino]methyl]-2-naphthol
  • T5333911

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum tubulin epsilon chain, putative 0.0184 0.2597 0.5378
Plasmodium vivax tubulin beta chain, putative 0.0328 0.4712 1
Echinococcus granulosus tubulin alpha chain 0.0263 0.3752 0.3752
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.7143 0.7259
Trypanosoma brucei alpha tubulin 0.0263 0.3752 0.7902
Echinococcus granulosus beta tubulin 0.0328 0.4712 0.4712
Schistosoma mansoni tubulin subunit gamma 0.0184 0.2597 0.3635
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus granulosus Tubulin beta 2C chain 0.0328 0.4712 0.4712
Trypanosoma brucei beta tubulin 0.0328 0.4712 1
Trypanosoma brucei beta tubulin 0.0328 0.4712 1
Echinococcus granulosus tubulin alpha 3 chain 0.0263 0.3752 0.3752
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus multilocularis tubulin subunit beta 0.0328 0.4712 0.4789
Schistosoma mansoni tubulin subunit alpha 0.0263 0.3752 0.5253
Echinococcus granulosus tubulin alpha 0.0184 0.2597 0.2597
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus granulosus peroxisome assembly protein 26 0.0263 0.3752 0.3752
Echinococcus granulosus geminin 0.0205 0.2903 0.2903
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0183 0.2583 0.548
Echinococcus granulosus Tubulin alpha 1 chain 0.0263 0.3752 0.3752
Echinococcus granulosus tubulin alpha chain 0.0263 0.3752 0.3752
Schistosoma mansoni tubulin subunit alpha 0.0263 0.3752 0.5253
Echinococcus granulosus tubulin gamma 1 chain 0.0184 0.2597 0.2597
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0184 0.2597 0.5378
Leishmania major beta tubulin 0.0328 0.4712 1
Loa Loa (eye worm) tubulin alpha chain 0.0263 0.3752 0.7962
Trypanosoma cruzi epsilon tubulin, putative 0.0184 0.2597 0.5378
Trichomonas vaginalis tubulin alpha chain, putative 0.0328 0.4712 1
Echinococcus multilocularis tubulin alpha chain 0.0263 0.3752 0.3813
Leishmania major beta tubulin 0.0328 0.4712 1
Treponema pallidum ATP-binding protein (ylxH-1) 0.0464 0.6706 1
Loa Loa (eye worm) tubulin alpha chain 0.0263 0.3752 0.7962
Echinococcus multilocularis tubulin epsilon chain 0.0184 0.2597 0.2639
Plasmodium vivax tubulin gamma chain, putative 0.0184 0.2597 0.5378
Echinococcus multilocularis tubulin alpha chain 0.0263 0.3752 0.3813
Trypanosoma cruzi beta tubulin, putative 0.0328 0.4712 1
Brugia malayi Tubulin alpha chain 0.0263 0.3752 0.561
Toxoplasma gondii alpha-tubulin I, putative 0.0263 0.3752 0.7902
Toxoplasma gondii alpha tubulin TUBA1 0.0263 0.3752 0.7902
Echinococcus multilocularis Tubulin beta 2C chain 0.0328 0.4712 0.4789
Plasmodium falciparum tubulin gamma chain 0.0184 0.2597 0.5378
Echinococcus granulosus tubulin alpha chain 0.0263 0.3752 0.3752
Schistosoma mansoni hypothetical protein 0.0205 0.2903 0.4063
Toxoplasma gondii beta-1 tubulin, putative 0.0328 0.4712 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0328 0.4712 0.4789
Toxoplasma gondii beta-tubulin, putative 0.0328 0.4712 1
Giardia lamblia Beta tubulin 0.0328 0.4712 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0263 0.3752 0.3752
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0263 0.3752 0.7954
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Entamoeba histolytica tubulin family protein 0.0328 0.4712 1
Echinococcus granulosus beta tubulin 0.0328 0.4712 0.4712
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Entamoeba histolytica tubulin family protein 0.0328 0.4712 1
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus granulosus Tubulin beta 2C chain 0.0328 0.4712 0.4712
Loa Loa (eye worm) tubulin beta chain 0.0328 0.4712 1
Plasmodium vivax tubulin alpha chain, putative 0.0263 0.3752 0.7902
Leishmania major beta tubulin 0.0328 0.4712 1
Loa Loa (eye worm) tubulin alpha 2 0.0183 0.2583 0.548
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Echinococcus granulosus tubulin subunit TubB 0.0263 0.3752 0.3752
Echinococcus multilocularis tubulin alpha 3 chain 0.0263 0.3752 0.3813
Trypanosoma brucei alpha tubulin 0.0263 0.3752 0.7902
Echinococcus multilocularis beta tubulin 0.0328 0.4712 0.4789
Leishmania major beta tubulin 0.0328 0.4712 1
Plasmodium falciparum tubulin beta chain 0.0328 0.4712 1
Echinococcus multilocularis beta tubulin 0.0328 0.4712 0.4789
Trypanosoma brucei tubulin gamma chain 0.0184 0.2597 0.5378
Echinococcus multilocularis geminin 0.0205 0.2903 0.295
Trypanosoma brucei alpha tubulin 0.0263 0.3752 0.7902
Plasmodium falciparum alpha tubulin 1 0.0263 0.3752 0.7902
Echinococcus multilocularis tubulin alpha 0.0184 0.2597 0.2639
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Echinococcus granulosus Tubulin beta 2C chain 0.0328 0.4712 0.4712
Loa Loa (eye worm) beta-tubulin 0.0328 0.4712 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0328 0.4712 0.4789
Entamoeba histolytica tubulin alpha-1 chain 0.0263 0.3752 0.7962
Brugia malayi tubulin alpha chain - mouse 0.0263 0.3752 0.561
Leishmania major beta tubulin 0.0328 0.4712 1
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Schistosoma mansoni hypothetical protein 0.0205 0.2903 0.4063
Brugia malayi Tubulin gamma chain 0.0184 0.2597 0.3883
Trypanosoma cruzi alpha tubulin, putative 0.0263 0.3752 0.7902
Giardia lamblia Alpha-tubulin 0.0263 0.3752 0.7902
Schistosoma mansoni alpha tubulin 0.0263 0.3752 0.5253
Trichomonas vaginalis tubulin gamma chain, putative 0.0328 0.4712 1
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Echinococcus granulosus tubulin alpha 1C chain 0.0263 0.3752 0.3752
Echinococcus granulosus tubulin beta 1 chain 0.0328 0.4712 0.4712
Loa Loa (eye worm) tubulin alpha-2 chain 0.0263 0.3752 0.7962
Trichomonas vaginalis tubulin epsilon chain, putative 0.0263 0.3752 0.7954
Loa Loa (eye worm) BEN-1 protein 0.0328 0.4712 1
Brugia malayi Tubulin alpha-2 chain 0.0263 0.3752 0.561
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Echinococcus granulosus alpha tubulin 0.0263 0.3752 0.3752
Echinococcus multilocularis Tubulin beta 2C chain 0.0328 0.4712 0.4789
Trypanosoma brucei beta tubulin 0.0328 0.4712 1
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Toxoplasma gondii beta tubulin 0.0328 0.4712 1
Giardia lamblia Beta tubulin 0.0328 0.4712 1
Schistosoma mansoni hypothetical protein 0.0494 0.7143 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0184 0.2597 0.5493
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Echinococcus granulosus dnaJ subfamily B 0.0494 0.7143 0.7143
Loa Loa (eye worm) hypothetical protein 0.0263 0.3752 0.7962
Loa Loa (eye worm) hypothetical protein 0.0183 0.2583 0.548
Loa Loa (eye worm) alpha-tubulin 0.0263 0.3752 0.7962
Echinococcus multilocularis snurportin 1 0.0302 0.4336 0.4406
Echinococcus multilocularis Tubulin alpha 1 chain 0.0263 0.3752 0.3813
Echinococcus multilocularis tubulin alpha chain 0.0263 0.3752 0.3813
Leishmania major epsilon tubulin, putative 0.0184 0.2597 0.5378
Brugia malayi beta-tubulin, identical 0.0328 0.4712 0.7047
Brugia malayi Serotonin receptor 0.0463 0.6688 1
Plasmodium falciparum alpha tubulin 2 0.0263 0.3752 0.7902
Trichomonas vaginalis tubulin beta chain, putative 0.0328 0.4712 1
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Echinococcus multilocularis Tubulin beta 2C chain 0.0328 0.4712 0.4789
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0183 0.2583 0.5463
Echinococcus multilocularis tubulin gamma 1 chain 0.0184 0.2597 0.2639
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Echinococcus multilocularis tubulin alpha 1C chain 0.0263 0.3752 0.3813
Echinococcus granulosus tubulin subunit beta 0.0328 0.4712 0.4712
Trichomonas vaginalis tubulin epsilon chain, putative 0.0328 0.4712 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0328 0.4712 0.4789
Loa Loa (eye worm) tubulin beta-4 chain 0.0328 0.4712 1
Loa Loa (eye worm) tubulin gamma chain 0.0184 0.2597 0.551
Giardia lamblia Alpha-tubulin 0.0263 0.3752 0.7902
Loa Loa (eye worm) tubulin beta-1 chain 0.0328 0.4712 1
Giardia lamblia Gamma tubulin 0.0184 0.2597 0.5378
Echinococcus multilocularis tubulin alpha chain 0.0263 0.3752 0.3813
Schistosoma mansoni tubulin subunit alpha 0.0263 0.3752 0.5253
Echinococcus multilocularis tubulin alpha chain 0.0263 0.3752 0.3813
Leishmania major beta tubulin 0.0328 0.4712 1
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Brugia malayi Tubulin alpha-2 chain 0.0263 0.3752 0.561
Giardia lamblia Beta tubulin 0.0328 0.4712 1
Trypanosoma brucei alpha tubulin 0.0263 0.3752 0.7902
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0263 0.3752 0.3813
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Trypanosoma brucei beta tubulin 0.0328 0.4712 1
Entamoeba histolytica tubulin gamma chain 0.0184 0.2597 0.551
Brugia malayi alpha-tubulin 0.0263 0.3752 0.561
Trichomonas vaginalis tubulin, putative 0.0328 0.4712 1
Loa Loa (eye worm) tubulin alpha 2 0.0183 0.2583 0.548
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Echinococcus multilocularis peroxisome assembly protein 26 0.0263 0.3752 0.3813
Echinococcus granulosus tubulin epsilon chain 0.0184 0.2597 0.2597
Echinococcus multilocularis hypothetical protein 0.0263 0.3752 0.3813
Echinococcus multilocularis Tubulin alpha 1 chain 0.0263 0.3752 0.3813
Loa Loa (eye worm) BEN-1 protein 0.0328 0.4712 1
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Echinococcus granulosus Tubulin beta 2C chain 0.0328 0.4712 0.4712
Echinococcus granulosus Tubulin beta 2C chain 0.0328 0.4712 0.4712
Trichomonas vaginalis tubulin gamma chain, putative 0.0184 0.2597 0.5493
Trichomonas vaginalis tubulin epsilon chain, putative 0.0263 0.3752 0.7954
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.4336 0.9201
Leishmania major beta tubulin 0.0328 0.4712 1
Trypanosoma brucei epsilon tubulin 0.0184 0.2597 0.5378
Plasmodium vivax tubulin epsilon chain, putative 0.0184 0.2597 0.5378
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0263 0.3752 0.3752
Echinococcus granulosus snurportin 1 0.0302 0.4336 0.4336
Echinococcus multilocularis conserved hypothetical protein 0.0678 0.984 1
Loa Loa (eye worm) alpha-tubulin 0.0263 0.3752 0.7962
Schistosoma mansoni tubulin subunit epsilon 0.0184 0.2597 0.3635
Trypanosoma cruzi epsilon tubulin, putative 0.0184 0.2597 0.5378
Trypanosoma brucei beta tubulin 0.0184 0.2597 0.5378
Leishmania major gamma-tubulin 0.0184 0.2597 0.5378
Loa Loa (eye worm) tubulin beta-2A chain 0.0328 0.4712 1
Schistosoma mansoni tubulin subunit beta 0.0328 0.4712 0.6597
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Echinococcus granulosus tubulin alpha 3 chain 0.0263 0.3752 0.3752
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Entamoeba histolytica tubulin alpha chain, putative 0.0263 0.3752 0.7962
Schistosoma mansoni alpha tubulin 0.0263 0.3752 0.5253
Schistosoma mansoni hypothetical protein 0.0302 0.4336 0.607
Echinococcus granulosus tubulin alpha 1C chain 0.0263 0.3752 0.3752
Trypanosoma brucei epsilon tubulin 0.0184 0.2597 0.5378
Trypanosoma brucei epsilon tubulin 0.0184 0.2597 0.5378
Brugia malayi tubulin alpha-2 chain 0.0263 0.3752 0.561
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus multilocularis tubulin beta 1 chain 0.0328 0.4712 0.4789
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus granulosus tubulin alpha chain 0.0263 0.3752 0.3752
Schistosoma mansoni alpha tubulin 0.0263 0.3752 0.5253
Echinococcus multilocularis tubulin alpha 3 chain 0.0263 0.3752 0.3813
Plasmodium vivax tubulin alpha chain, putative 0.0263 0.3752 0.7902
Echinococcus granulosus tubulin alpha chain 0.0263 0.3752 0.3752
Brugia malayi Tubulin beta-1 chain 0.0328 0.4712 0.7047
Trichomonas vaginalis tubulin alpha chain, putative 0.0184 0.2597 0.5493
Echinococcus multilocularis tubulin alpha 1C chain 0.0263 0.3752 0.3813
Trichomonas vaginalis tubulin beta chain, putative 0.0263 0.3752 0.7954
Trichomonas vaginalis tubulin epsilon chain, putative 0.0328 0.4712 1
Leishmania major beta tubulin 0.0328 0.4712 1
Echinococcus multilocularis tubulin subunit TubB 0.0263 0.3752 0.3813
Leishmania major beta tubulin 0.0328 0.4712 1
Trypanosoma cruzi tubulin gamma chain 0.0184 0.2597 0.5378
Echinococcus granulosus tubulin beta 4A class IVa 0.0328 0.4712 0.4712
Leishmania major alpha tubulin 0.0263 0.3752 0.7902
Leishmania major beta tubulin 0.0328 0.4712 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.3233 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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