Detailed information for compound 1874795

Basic information

Technical information
  • TDR Targets ID: 1874795
  • Name: 1,3-dimethyl-7-(phenylmethyl)-8-(2-(pyridin-4 -ylmethylidene)hydrazinyl)purine-2,6-dione
  • MW: 389.411 | Formula: C20H19N7O2
  • H donors: 1 H acceptors: 4 LogP: 2.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1ccccc1)N/N=C/c1ccncc1
  • InChi: 1S/C20H19N7O2/c1-25-17-16(18(28)26(2)20(25)29)27(13-15-6-4-3-5-7-15)19(23-17)24-22-12-14-8-10-21-11-9-14/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+
  • InChiKey: ULWYBYXIZFTGKM-WSDLNYQXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-dimethyl-7-(phenylmethyl)-8-((2E)-2-(pyridin-4-ylmethylidene)hydrazinyl)purine-2,6-dione
  • 1,3-dimethyl-7-(phenylmethyl)-8-(N'-(4-pyridylmethylene)hydrazino)purine-2,6-dione
  • 1,3-dimethyl-7-(phenylmethyl)-8-((N'E)-N'-(4-pyridylmethylene)hydrazino)purine-2,6-dione
  • 7-(benzyl)-1,3-dimethyl-8-((N'E)-N'-(4-pyridylmethylene)hydrazino)xanthine
  • 7-(benzyl)-1,3-dimethyl-8-(N'-(4-pyridylmethylene)hydrazino)xanthine
  • SMR000431726
  • 7-Benzyl-1,3-dimethyl-8-{N'-[1-pyridin-4-yl-meth-(E)-ylidene]-hydrazino}-3,7-dihydro-purine-2,6-dione
  • STOCK2S-22104
  • AO-343/41780934
  • MLS000768419

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.107 1
Leishmania major hypothetical protein, conserved 0.0041 0.1006 0.9208
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.1006 0.9398
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0155 0.0283
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0647 0.04
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.549 0.5878
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0279 0.0902
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0162 0.0295
Loa Loa (eye worm) glutaminase 2 0.033 0.9341 1
Brugia malayi steroid hormone receptor 0.0012 0.0162 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0162 0.0174
Brugia malayi nuclear receptor NHR-88 0.0012 0.0162 0.0174
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1064 0.1938
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.107 0.1146
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0162 0.0174
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0162 0.0295
Schistosoma mansoni alpha-glucosidase 0.0169 0.4699 0.5031
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4788 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0162 0.0174
Trichomonas vaginalis glutaminase, putative 0.033 0.9341 0.9323
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0279 0.261
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0471 0.0504
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.107 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0162 0.0174
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.1006 0.1832
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0155 0.1452
Schistosoma mansoni glutaminase 0.033 0.9341 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0162 0.0174
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0257 0.2401
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0162 0.0174
Entamoeba histolytica hypothetical protein 0.0043 0.1064 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0279 0.0023
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.107 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0162 0.0174
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0162 0.0295
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1064 0.1139
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.549 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0162 0.0174
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0162 0.0295
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.0279 0.0023
Brugia malayi hypothetical protein 0.0043 0.1064 0.1139
Entamoeba histolytica hypothetical protein 0.0043 0.1064 0.0829
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0162 0.0174
Trypanosoma brucei glucosidase, putative 0.0044 0.107 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0162 0.0295
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0162 0.0174
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0545 0.542
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0279 0.0274
Schistosoma mansoni alpha glucosidase 0.0044 0.107 0.1146
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0155 0.0166
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0162 0.0295
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.1006 0.1077
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0279 0.0023
Schistosoma mansoni coup transcription factor 0.0012 0.0162 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0162 0.0174
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0162 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0162 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0162 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0162 0.0174
Loa Loa (eye worm) RecQ helicase 0.0029 0.0647 0.0692
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0162 0.0524
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0162 0.0174
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0155 0.1452
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0279 0.261
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0162 0.0174
Brugia malayi nuclear hormone receptor 0.0012 0.0162 0.0174
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0162 0.0295
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.107 0.195
Entamoeba histolytica hypothetical protein 0.0043 0.1064 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.107 0.1146
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0279 0.0023
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0257 0.2401
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0647 0.1178
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0279 0.0023
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.1006 0.1832
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.107 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0279 0.261
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.107 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.1006 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0162 0.0295
Loa Loa (eye worm) hypothetical protein 0.0016 0.0279 0.0299
Entamoeba histolytica hypothetical protein 0.0043 0.1064 0.0829
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0162 0.0174
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0162 0.0174
Brugia malayi Augmenter of liver regeneration 0.0041 0.1006 0.1077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0162 0.0295
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.1006 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0155 0.0166
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0162 0.0174
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.107 0.0835
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0162 0.0295
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0162 0.0174
Mycobacterium ulcerans glutaminase 0.033 0.9341 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0162 0.0295
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0162 0.0174
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0155 0.0283
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.1006 0.9398
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.1006 0.9398
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0369 0.3448
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0279 0.0023
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.107 0.0835
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0162 0.0174
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0162 0.0295
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.107 0.0835
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.549 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.107 0.0835
Brugia malayi glutaminase DH11.1 0.033 0.9341 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0162 0.0174
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.107 0.195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0162 0.0295
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0155 0.0283
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0376 0.3736
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0162 0.0174
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0162 0.0295
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.107 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0279 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0162 0.0174
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0279 0.0023
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0155 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0162 0.0174
Loa Loa (eye worm) glutaminase 0.033 0.9341 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0647 0.04
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0279 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0162 0.0174
Schistosoma mansoni hypothetical protein 0.0043 0.1064 0.1139
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1064 0.1938
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0162 0.0174
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4788 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.4699 0.5031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0162 0.0295
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0162 0.0524
Echinococcus granulosus bloom syndrome protein 0.0029 0.0647 0.1178
Onchocerca volvulus 0.0114 0.3095 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0162 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0162 0.0174
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.549 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.107 0.0835
Onchocerca volvulus 0.0012 0.0162 0.0524
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.107 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0155 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0162 0.0174
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.107 0.0835
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.107 0.0835
Schistosoma mansoni DNA helicase recq1 0.0012 0.0155 0.0166
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.549 0.5878
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0155 0.0166
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0155 0.1544
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0155 0.0166
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.1006 0.9398
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.1006 0.9398
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0647 0.0692
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0162 0.0295
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0162 0.0295
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0162 0.0174
Brugia malayi ecdysteroid receptor 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0174
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.107 0.0835
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0162 0.0174
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.1006 0.9398
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0279 0.0299
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0162 0.0524
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0162 0.0174
Loa Loa (eye worm) hypothetical protein 0.0146 0.4023 0.4307

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.628 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 1.3115 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) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (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) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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