Detailed information for compound 1606253

Basic information

Technical information
  • TDR Targets ID: 1606253
  • Name: 3-(pyridin-3-ylmethylideneamino)-2-sulfanylid ene-1,3-thiazolidin-4-one
  • MW: 237.301 | Formula: C9H7N3OS2
  • H donors: 0 H acceptors: 2 LogP: 1.42 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CSC(=S)N1/N=C/c1cccnc1
  • InChi: 1S/C9H7N3OS2/c13-8-6-15-9(14)12(8)11-5-7-2-1-3-10-4-7/h1-5H,6H2/b11-5+
  • InChiKey: FZAAUTBSWARWQN-VZUCSPMQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-pyridylmethyleneamino)-2-thioxo-thiazolidin-4-one
  • 3-(3-pyridylmethyleneamino)-2-thioxo-4-thiazolidinone
  • 3-[(3-pyridinylmethylene)amino]-2-thioxo-1,3-thiazolan-4-one
  • MLS000861695
  • SMR000460479
  • Maybridge4_003803
  • S 04279
  • Oprea1_459086
  • SR-01000003903-2

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase 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 ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani trypanothione 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
Loa Loa (eye worm) glutathione 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
Brugia malayi Thioredoxin 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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase 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
Trypanosoma cruzi trypanothione reductase, putative 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense trypanothione reductase, putative 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
Leishmania major trypanothione 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva thioredoxin reductase, putative 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense trypanothione 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi glutathione 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Fructose-bisphosphate aldolase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0142 0.3105 0.3025
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0253 0.014
Plasmodium vivax SET domain protein, putative 0.0036 0.0265 0.0152
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2054 0.2985
Chlamydia trachomatis SWIB complex protein 0.0399 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0399 1 1
Brugia malayi glutathione reductase 0.0103 0.2054 0.2054
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.5585 0.8837
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0253 0.014
Plasmodium falciparum thioredoxin reductase 0.0103 0.2054 0.1962
Plasmodium vivax glutathione reductase, putative 0.0103 0.2054 0.1962
Schistosoma mansoni hypothetical protein 0.0399 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0142 0.3105 1
Onchocerca volvulus 0.0142 0.3105 0.2918
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0142 0.3105 0.3105
Trypanosoma cruzi hypothetical protein, conserved 0.0142 0.3105 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0142 0.3105 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0253 0.0464
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0253 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0253 0.014
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0913 0.0913
Leishmania major hypothetical protein, conserved 0.0142 0.3105 1
Brugia malayi hypothetical protein 0.0148 0.3265 0.3265
Loa Loa (eye worm) hypothetical protein 0.018 0.4135 0.4067
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Brugia malayi Pre-SET motif family protein 0.0251 0.6037 0.6037
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0142 0.3105 0.3105
Schistosoma mansoni hypothetical protein 0.0399 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0253 0.014
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0253 0.0253
Leishmania major hypothetical protein, conserved 0.0142 0.3105 1
Schistosoma mansoni hypothetical protein 0.0399 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0399 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.0142 0.3105 0.2926
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0253 0.0464
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3921 0.608
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0253 0.014
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0142 0.3105 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Brugia malayi brahma associated protein 60 kDa 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.3105 0.3025
Schistosoma mansoni hypothetical protein 0.0205 0.4785 0.465
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2054 0.6486
Toxoplasma gondii thioredoxin reductase 0.0103 0.2054 0.1962
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2054 0.1962
Loa Loa (eye worm) hypothetical protein 0.018 0.4135 0.4067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0265 0.0012
Onchocerca volvulus 0.0286 0.6968 0.6886
Echinococcus multilocularis geminin 0.0205 0.4785 0.465
Trypanosoma cruzi hypothetical protein, conserved 0.0142 0.3105 1
Schistosoma mansoni fusion 0.0142 0.3105 0.2926
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0399 1 1
Echinococcus granulosus ring and YY1 binding protein 0.0142 0.3105 0.2943
Schistosoma mansoni zinc finger protein 0.0142 0.3105 0.2926
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.5585 0.7034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0253 0.0464
Trichomonas vaginalis conserved hypothetical protein 0.0399 1 1
Toxoplasma gondii ran binding protein 0.0142 0.3105 0.3025
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.6286 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.8762 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0142 0.3105 0.2926
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0265 0.0012
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0399 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.4135 0.3983
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0399 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0142 0.3105 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0253 0.0464
Plasmodium falciparum glutathione reductase 0.0036 0.0253 0.014
Echinococcus multilocularis SWI:SNF matrix associated 0.0399 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.5585 0.8837
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0142 0.3105 0.2926
Echinococcus granulosus SWI:SNF matrix associated 0.0399 1 1
Onchocerca volvulus 0.0142 0.3105 0.2918
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6037 0.5991
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0142 0.3105 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0142 0.3105 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2071 0.1884
Echinococcus granulosus muscleblind protein 0.018 0.4135 0.3998
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0142 0.3105 0.3025
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0253 0.0464
Loa Loa (eye worm) glutathione reductase 0.0103 0.2054 0.1962
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3921 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0142 0.3105 0.3105
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2054 0.1962
Schistosoma mansoni hypothetical protein 0.0041 0.0402 0.0152
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0253 0.0464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0913 0.0807
Leishmania major hypothetical protein, conserved 0.0142 0.3105 1
Brugia malayi hypothetical protein 0.003 0.0115 0.0115
Echinococcus granulosus zinc finger protein Ran binding 0.0142 0.3105 0.2943
Onchocerca volvulus Huntingtin homolog 0.0148 0.3265 0.3082
Brugia malayi Muscleblind-like protein 0.018 0.4135 0.4135
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8762 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0399 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0913 0.0913
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Leishmania major trypanothione reductase 0.0103 0.2054 0.6486
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0142 0.3105 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0253 0.0464
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Schistosoma mansoni brg-1 associated factor 0.0399 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0399 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0253 0.0464
Schistosoma mansoni hypothetical protein 0.0205 0.4785 0.465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0265 0.0012
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0399 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.6286 1
Brugia malayi Thioredoxin reductase 0.0103 0.2054 0.2054
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0253 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.5585 0.8837
Leishmania major hypothetical protein, conserved 0.0142 0.3105 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0265 0.0012
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0142 0.3105 0.3025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Onchocerca volvulus 0.0399 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0265 0.0152
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0142 0.3105 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8762 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0142 0.3105 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0402 0.0291
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0402 0.0402
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.6286 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Onchocerca volvulus 0.0142 0.3105 0.2918
Echinococcus multilocularis muscleblind protein 0.018 0.4135 0.3983
Loa Loa (eye worm) hypothetical protein 0.0142 0.3105 0.3025
Loa Loa (eye worm) hypothetical protein 0.0148 0.3265 0.3187
Echinococcus multilocularis SWI:SNF matrix associated 0.0399 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0142 0.3105 0.2943
Onchocerca volvulus 0.0142 0.3105 0.2918
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.5585 0.8837
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0142 0.3105 0.2918
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0142 0.3105 0.3105
Trypanosoma brucei trypanothione reductase 0.0103 0.2054 0.6486
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.8762 1
Schistosoma mansoni RNA binding protein 0.0142 0.3105 0.2926
Trypanosoma cruzi WLM domain containing protein, putative 0.0142 0.3105 1
Schistosoma mansoni hypothetical protein 0.0142 0.3105 0.2926
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6968 0.689
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.5585 0.8837
Plasmodium vivax hypothetical protein, conserved 0.0399 1 1
Plasmodium falciparum thioredoxin reductase 0.0036 0.0253 0.014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0265 0.0012
Plasmodium falciparum glutathione reductase 0.0103 0.2054 0.1962
Loa Loa (eye worm) hypothetical protein 0.0036 0.0265 0.0152
Echinococcus multilocularis SWI:SNF matrix associated 0.0399 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3265 0.3082
Echinococcus multilocularis zinc finger protein Ran binding 0.0142 0.3105 0.2926
Loa Loa (eye worm) hypothetical protein 0.006 0.0913 0.0807
Brugia malayi YY1-associated factor 2 0.0142 0.3105 0.3105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Echinococcus granulosus geminin 0.0205 0.4785 0.4663
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0253 0.014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0253 0.0464
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0265 0.0012
Brugia malayi SWIB/MDM2 domain containing protein 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.3105 0.3025
Leishmania major hypothetical protein, conserved 0.0142 0.3105 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0142 0.3105 0.2943
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0265 0.0036
Loa Loa (eye worm) hypothetical protein 0.0142 0.3105 0.3025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8762 0.873
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0253 0.0025
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0253 0.0464
Trypanosoma brucei hypothetical protein, conserved 0.0142 0.3105 1
Schistosoma mansoni TRABID protein (C64 family) 0.0142 0.3105 0.2926
Brugia malayi Pre-SET motif family protein 0.0036 0.0265 0.0265
Loa Loa (eye worm) brahma associated protein 0.0399 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0142 0.3105 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.3265 0.3187
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0399 1 1
Mycobacterium tuberculosis Probable reductase 0.0234 0.5585 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2071 0.1865
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.6286 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5805 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) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 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) 7.0795 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) = 17.7407 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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