Detailed information for compound 1459379

Basic information

Technical information
  • TDR Targets ID: 1459379
  • Name: N-(2,5-dimethoxyphenyl)phenothiazine-10-carbo xamide
  • MW: 378.444 | Formula: C21H18N2O3S
  • H donors: 1 H acceptors: 1 LogP: 4.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)NC(=O)N1c2ccccc2Sc2c1cccc2)OC
  • InChi: 1S/C21H18N2O3S/c1-25-14-11-12-18(26-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24)
  • InChiKey: QVMLVZQWHUAVPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-dimethoxyphenyl)-10-phenothiazinecarboxamide
  • NCGC00100007-01
  • Oprea1_138718

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative 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 japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii thioredoxin 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase 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
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
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
Echinococcus granulosus vesicular acetylcholine transporter 0.026 0.2958 0.2958
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0198 0.0198
Onchocerca volvulus 0.0036 0.0209 0.0034
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0198 0.3406
Echinococcus granulosus thymidine kinase 0.024 0.2711 0.2711
Echinococcus multilocularis geminin 0.0178 0.1958 0.1958
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0009 0.0018
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0209 0.0209
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0209 0.3592
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.1411 0.1411
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0192 0.0192
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0198 0.3406
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3279 0.569
Echinococcus granulosus geminin 0.0178 0.1958 0.1958
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Echinococcus granulosus peregrin 0.0035 0.0198 0.0198
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0289 0.0289
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2853 0.5612
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0565 0.3621
Brugia malayi glutathione reductase 0.0057 0.0467 0.0919
Echinococcus granulosus thymidine kinase 0.024 0.2711 0.2711
Plasmodium vivax SET domain protein, putative 0.0036 0.0209 0.4358
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0209 0.0209
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0209 0.0209
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0565 1
Brugia malayi jmjC domain containing protein 0.0115 0.1182 0.2326
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0565 0.0565
Treponema pallidum NADH oxidase 0.002 0.0009 0.5
Echinococcus multilocularis peregrin 0.0035 0.0198 0.0198
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0009 0.0009
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0467 0.0919
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.5756 1
Onchocerca volvulus 0.0286 0.3279 1
Schistosoma mansoni hypothetical protein 0.0178 0.1958 0.1958
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1544 1
Schistosoma mansoni hypothetical protein 0.0035 0.0198 0.0198
Leishmania major C-8 sterol isomerase-like protein 0.0433 0.5083 0.8829
Echinococcus multilocularis transfer RNA-Ile 0.024 0.2711 0.2711
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0209 0.0209
Schistosoma mansoni thymidine kinase 0.024 0.2711 0.2711
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0198 0.4132
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.039
Brugia malayi Bromodomain containing protein 0.0035 0.0198 0.039
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0198 0.0198
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1182 0.1182
Loa Loa (eye worm) glutathione reductase 0.0057 0.0467 0.0919
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0891 0.0891
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0467 0.0467
Trypanosoma brucei C-8 sterol isomerase, putative 0.0433 0.5083 0.8829
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1544 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0565 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0565 0.0565
Entamoeba histolytica thymidine kinase, putative 0.0488 0.5756 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.0051 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0041 0.0271 0.0534
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.1288 0.1288
Schistosoma mansoni hypothetical protein 0.0041 0.0271 0.0271
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0505 0.0994
Echinococcus multilocularis thymidine kinase 0.024 0.2711 0.2711
Trypanosoma brucei thymidine kinase 0.0488 0.5756 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.026 0.2958 0.582
Schistosoma mansoni vesicular acetylcholine transporter 0.026 0.2958 0.2958
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0467 0.2985
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.5756 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0565 0.0565
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0009 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1366 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1366 0.8837
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0433 0.5083 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0289 0.0289
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Brugia malayi Thioredoxin reductase 0.0057 0.0467 0.0919
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.024 0.2711 0.2711
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0505 0.0994
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0289 0.0289
Brugia malayi PHD-finger family protein 0.0035 0.0198 0.039
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0271 0.0534
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0659 0.1296
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0467 0.0797
Loa Loa (eye worm) hypothetical protein 0.0036 0.0209 0.0411
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0221 0.2484 0.4886
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0198 0.039
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0009 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1544 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0507 0.0998
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1366 0.8837
Schistosoma mansoni hypothetical protein 0.0124 0.1288 0.1288
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0289 0.0289
Leishmania major trypanothione reductase 0.0057 0.0467 0.0797
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0368 0.0368
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1544 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0565 0.0565
Brugia malayi jmjC domain containing protein 0.0043 0.0289 0.0569
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0505 0.0994
Plasmodium falciparum glutathione reductase 0.0057 0.0467 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1537 0.3023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0565 1
Leishmania major thymidine kinase, putative 0.0488 0.5756 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1537 0.3023
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.5756 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0467 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1366 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0467 1
Trypanosoma cruzi thymidine kinase, putative 0.0488 0.5756 1
Giardia lamblia PHD finger protein 15 0.0035 0.0198 0.0329
Echinococcus multilocularis thymidine kinase 0.024 0.2711 0.2711
Brugia malayi Pre-SET motif family protein 0.0251 0.2853 0.5612
Echinococcus multilocularis vesicular acetylcholine transporter 0.026 0.2958 0.2958
Brugia malayi MH2 domain containing protein 0.0144 0.1537 0.3023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0209 0.0209
Mycobacterium tuberculosis Probable reductase 0.013 0.1366 0.8837
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0433 0.5083 0.8829
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0009 0.0009
Brugia malayi vesicular acetylcholine transporter unc-17 0.026 0.2958 0.582
Plasmodium falciparum phd finger protein, putative 0.0035 0.0198 0.4132
Trypanosoma brucei trypanothione reductase 0.0057 0.0467 0.0797
Brugia malayi Pre-SET motif family protein 0.0036 0.0209 0.0411
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0505 0.0994
Trypanosoma cruzi thymidine kinase, putative 0.0488 0.5756 1
Schistosoma mansoni hypothetical protein 0.0178 0.1958 0.1958
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1182 0.1182
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0565 0.0967
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.026 0.2958 0.896
Giardia lamblia Thymidine kinase 0.0488 0.5756 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1366 0.8837
Schistosoma mansoni thyroid hormone receptor 0.0134 0.1411 0.1411
Toxoplasma gondii thioredoxin reductase 0.0057 0.0467 0.8243
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.1288 0.1288
Loa Loa (eye worm) hypothetical protein 0.0433 0.5083 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0289 0.0569
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0009 0.0009
Schistosoma mansoni thyroid hormone receptor 0.0134 0.1411 0.1411
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0565 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0467 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0467 0.0467
Giardia lamblia Deoxynucleoside kinase 0.0371 0.4318 0.7497

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 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) 1.2589 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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