Detailed information for compound 1319390

Basic information

Technical information
  • TDR Targets ID: 1319390
  • Name: 5-cyano-2-methyl-N,4-di(phenyl)-6-sulfanylide ne-1H-pyridine-3-carboxamide
  • MW: 345.418 | Formula: C20H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(S)nc(c(c1c1ccccc1)C(=O)Nc1ccccc1)C
  • InChi: 1S/C20H15N3OS/c1-13-17(19(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)20(25)22-13/h2-11H,1H3,(H,22,25)(H,23,24)
  • InChiKey: HBBBOKGZOSQNAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cyano-2-methyl-N,4-di(phenyl)-6-thioxo-1H-pyridine-3-carboxamide
  • ZINC04784638
  • STOCK1S-29865
  • 5-Cyano-2-methyl-4-phenyl-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid phenylamide
  • MLS001029985
  • SMR000427198
  • Oprea1_808309

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione reductase 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei trypanothione reductase 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Toxoplasma gondii thioredoxin 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 major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi glutathione reductase 0.0057 0.0438 0.094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Leishmania major hypothetical protein, conserved 0.0257 0.251 1
Brugia malayi Carboxylesterase family protein 0.0449 0.4502 1
Brugia malayi Carboxylesterase family protein 0.0449 0.4502 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0153 0.0316
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1348 0.3447
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.0324 0.1108
Trichomonas vaginalis glutaminase, putative 0.033 0.3269 0.9315
Loa Loa (eye worm) carboxylesterase 0.0076 0.0633 0.1406
Schistosoma mansoni BC026374 protein (S09 family) 0.0076 0.0633 0.071
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Schistosoma mansoni acetylcholinesterase 0.0076 0.0633 0.071
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0324 0.0789
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0076 0.0633 0.1683
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.0324 0.1108
Schistosoma mansoni intermediate filament proteins 0.0031 0.0165 0.0156
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.0324 0.0324
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0324 0.072
Loa Loa (eye worm) glutaminase 0.033 0.3269 0.7262
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1634 1
Echinococcus granulosus acetylcholinesterase 0.0449 0.4502 0.5304
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0033 0.0038
Echinococcus multilocularis GPCR, family 2 0.0018 0.0033 0.0033
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0017 0.0038
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0051 0.5
Brugia malayi Carboxylesterase family protein 0.0076 0.0633 0.1374
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0438 0.1574
Echinococcus granulosus para nitrobenzyl esterase 0.0076 0.0633 0.0746
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Loa Loa (eye worm) hypothetical protein 0.0039 0.0249 0.0553
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8487 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0033 0.0033
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0033 0.0038
Mycobacterium ulcerans hypothetical protein 0.003 0.0153 0.0316
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0033 0.0072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0153 0.0316
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0449 0.4502 1
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0153 0.0413
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0438 0.0517
Trichomonas vaginalis spcc417.12 protein, putative 0.0076 0.0633 0.1683
Echinococcus granulosus carboxylesterase 5A 0.0449 0.4502 0.5304
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0153 0.0294
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1197 0.7238
Mycobacterium tuberculosis Probable reductase 0.013 0.1197 0.7238
Schistosoma mansoni neuroligin 3 (S09 family) 0.0076 0.0633 0.071
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0076 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0449 0.4502 1
Schistosoma mansoni lamin 0.0031 0.0165 0.0156
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0438 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0438 0.0438
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0633 0.071
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0051 0.5
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0051 0.0061
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0153 0.0413
Schistosoma mansoni glutaminase 0.033 0.3269 0.3828
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0153 0.0642
Mycobacterium ulcerans glutaminase 0.033 0.3269 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0249 0.0517
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1634 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.0324 0.7043
Trypanosoma brucei trypanothione reductase 0.0057 0.0438 0.1574
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3506 1
Schistosoma mansoni hypothetical protein 0.0039 0.0249 0.0256
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0324 0.1108
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0438 0.2445
Brugia malayi MH2 domain containing protein 0.0136 0.1256 0.2763
Plasmodium falciparum glutathione reductase 0.0057 0.0438 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0165 0.0366
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.0324 0.0685
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8487 0.8487
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.0324 0.0345
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.251 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3506 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0076 0.0633 0.0633
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.0633 0.3674
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0435 0.0966
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0324 0.072
Brugia malayi glutaminase DH11.1 0.033 0.3269 0.7252
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0033 0.0035
Loa Loa (eye worm) glutathione reductase 0.0057 0.0438 0.0974
Loa Loa (eye worm) hypothetical protein 0.0018 0.0033 0.0072
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.0324 0.0685
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0153 0.0153
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0165 0.0366
Echinococcus multilocularis lamin 0.0031 0.0165 0.0165
Echinococcus multilocularis musashi 0.0031 0.0165 0.0165
Onchocerca volvulus 0.0076 0.0633 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0076 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0051 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0153 0.018
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1197 0.7238
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0324 0.1108
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.1256 0.2791
Brugia malayi Thioredoxin reductase 0.0057 0.0438 0.094
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3506 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0324 0.0789
Brugia malayi hypothetical protein 0.0076 0.0633 0.1374
Mycobacterium ulcerans hypothetical protein 0.003 0.0153 0.0316
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0449 0.4502 0.5286
Loa Loa (eye worm) hypothetical protein 0.0031 0.0165 0.0366
Mycobacterium ulcerans carboxylesterase, LipT 0.0076 0.0633 0.1807
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.251 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0076 0.0633 0.3674
Onchocerca volvulus 0.0076 0.0633 1
Echinococcus multilocularis carboxylesterase 5A 0.0449 0.4502 0.4502
Onchocerca volvulus 0.0076 0.0633 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3506 1
Loa Loa (eye worm) carboxylesterase 0.0449 0.4502 1
Echinococcus granulosus BC026374 protein S09 family 0.0076 0.0633 0.0746
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8487 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0051 0.0022
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0076 0.0633 0.0746
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1197 0.7238
Mycobacterium tuberculosis Conserved protein 0.003 0.0153 0.0642
Echinococcus granulosus intermediate filament protein 0.0031 0.0165 0.0194
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.1256 0.2791
Brugia malayi intermediate filament protein 0.0031 0.0165 0.033
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Echinococcus multilocularis lamin dm0 0.0031 0.0165 0.0165
Echinococcus granulosus acetylcholinesterase 0.0449 0.4502 0.5304
Leishmania major trypanothione reductase 0.0057 0.0438 0.1574
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3506 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0051 0.0077
Schistosoma mansoni gliotactin 0.0076 0.0633 0.071
Brugia malayi Carboxylesterase family protein 0.0076 0.0633 0.1374
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0438 0.0974
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0324 0.7043
Echinococcus granulosus GPCR family 2 0.0018 0.0033 0.0038
Echinococcus granulosus neuroligin 0.0076 0.0633 0.0746
Loa Loa (eye worm) hypothetical protein 0.0057 0.0435 0.0966
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0165 0.033
Echinococcus granulosus lamin dm0 0.0031 0.0165 0.0194
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0051 0.0051
Plasmodium falciparum thioredoxin reductase 0.0057 0.0438 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.0633 0.3674
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0033 0.0035
Loa Loa (eye worm) carboxylesterase 0.0076 0.0633 0.1406
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0633 0.071
Schistosoma mansoni lamin 0.0031 0.0165 0.0156
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0324 0.7043
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1634 0.4918
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.251 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0435 0.0932
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0435 0.0932
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.0633 0.071
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0153 0.0316
Onchocerca volvulus 0.0076 0.0633 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0033 0.0033
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1197 0.7238
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1348 0.819
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Toxoplasma gondii thioredoxin reductase 0.0057 0.0438 1
Echinococcus multilocularis neuroligin 0.0076 0.0633 0.0633
Brugia malayi Carboxylesterase family protein 0.0076 0.0633 0.1374
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1348 0.819
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.1406
Plasmodium vivax glutathione reductase, putative 0.0057 0.0438 1
Brugia malayi Carboxylesterase family protein 0.0076 0.0633 0.1374
Echinococcus multilocularis acetylcholinesterase 0.0449 0.4502 0.4502
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1348 0.819
Loa Loa (eye worm) hypothetical protein 0.0449 0.4502 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0153 0.0413
Loa Loa (eye worm) hypothetical protein 0.003 0.0159 0.0353
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.0324 0.0382
Loa Loa (eye worm) glutaminase 2 0.033 0.3269 0.7262
Onchocerca volvulus 0.0076 0.0633 1
Echinococcus multilocularis acetylcholinesterase 0.0449 0.4502 0.4502
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1197 0.7238
Echinococcus granulosus lamin 0.0031 0.0165 0.0194

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.942 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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 (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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 of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) 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) 17.7828 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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