Detailed information for compound 1386560

Basic information

Technical information
  • TDR Targets ID: 1386560
  • Name: (2-methyl-3-nitrophenyl)-phenothiazin-10-ylme thanone
  • MW: 362.402 | Formula: C20H14N2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1C)[N+](=O)[O-])N1c2ccccc2Sc2c1cccc2
  • InChi: 1S/C20H14N2O3S/c1-13-14(7-6-10-15(13)22(24)25)20(23)21-16-8-2-4-11-18(16)26-19-12-5-3-9-17(19)21/h2-12H,1H3
  • InChiKey: XGZUSYYQWMJAQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-Methyl-3-nitro-phenyl)-phenothiazin-10-yl-methanone
  • (2-methyl-3-nitrophenyl)-(10-phenothiazinyl)methanone
  • ST030609
  • Oprea1_262793
  • MLS000587818
  • SMR000211778
  • ZINC01085433

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Plasmodium knowlesi thioredoxin reductase, putative 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii glutathione reductase 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 vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Plasmodium berghei glutathione 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum MGC84926 protein, related 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Thioredoxin 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana trypanothione reductase 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_128723 All targets in OG5_128723
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 489 aa 22.7 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0142 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Brugia malayi calpain 7 0.0023 0.0346 0.035
Echinococcus multilocularis muscleblind protein 1 0.018 0.9896 1
Echinococcus granulosus calpain 5 0.0023 0.0346 0.0254
Trypanosoma brucei trypanothione reductase 0.0057 0.2408 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Echinococcus multilocularis muscleblind protein 0.018 0.9896 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2408 0.2985
Loa Loa (eye worm) hypothetical protein 0.0019 0.0097 0.0098
Treponema pallidum NADH oxidase 0.002 0.0142 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.3906 0.3847
Trypanosoma cruzi kinesin, putative 0.0023 0.0346 0.0901
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6851 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7734 1
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0346 0.0254
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3586 0.3523
Loa Loa (eye worm) calpain family protein 1 0.0055 0.2259 0.2283
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0346 0.0901
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0142 0.0046
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6851 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2597 0.2624
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3586 0.3624
Brugia malayi calpain family protein 1 0.0078 0.3665 0.3704
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2408 0.2434
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0023 0.0346 0.0901
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0097 0.0098
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.3906 0.3887
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0142 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Onchocerca volvulus 0.0055 0.2259 1
Echinococcus granulosus muscleblind protein 0.018 0.9896 1
Echinococcus multilocularis calpain 5 0.0023 0.0346 0.0254
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Echinococcus granulosus calpain A 0.0082 0.3906 0.3887
Trypanosoma brucei antigen, putative 0.0023 0.0346 0.0901
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0097 0.0098
Loa Loa (eye worm) hypothetical protein 0.0033 0.0918 0.0928
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Echinococcus multilocularis lamin dm0 0.0033 0.0918 0.0838
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0346 0.0901
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0918 0.0928
Plasmodium falciparum thioredoxin reductase 0.0057 0.2408 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.3906 0.3887
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0142 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7734 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0918 0.0838
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.3906 0.3847
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3586 0.3523
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0918 0.0928
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.144 0.1455
Plasmodium vivax glutathione reductase, putative 0.0057 0.2408 1
Schistosoma mansoni calpain (C02 family) 0.0023 0.0346 0.0251
Mycobacterium tuberculosis Probable reductase 0.013 0.6851 0.8837
Brugia malayi glutathione reductase 0.0057 0.2408 0.2434
Loa Loa (eye worm) calpain 0.0023 0.0346 0.035
Toxoplasma gondii thioredoxin reductase 0.0057 0.2408 1
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0346 0.0254
Entamoeba histolytica protein kinase, putative 0.0023 0.0346 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.9896 1
Entamoeba histolytica calpain large subunit domain III containing protein 0.0023 0.0346 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3586 0.3523
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3586 0.3624
Plasmodium falciparum glutathione reductase 0.0057 0.2408 1
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0142 0.5
Echinococcus multilocularis musashi 0.0033 0.0918 0.0838
Echinococcus multilocularis hypothetical protein 0.0023 0.0346 0.0254
Brugia malayi Muscleblind-like protein 0.018 0.9896 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0142 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3586 0.3523
Echinococcus granulosus calpain 0.0023 0.0346 0.0254
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2597 0.2624
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0346 0.0901
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0142 0.5
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0346 0.0901
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0346 0.0251
Loa Loa (eye worm) hypothetical protein 0.006 0.2597 0.2624
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0142 0.0144
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0346 0.0251
Leishmania major kinesin, putative 0.0023 0.0346 0.0901
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6851 0.8837
Brugia malayi TAR-binding protein 0.0076 0.3586 0.3624
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0097 0.0098
Echinococcus multilocularis calpain A 0.0082 0.3906 0.3887
Trypanosoma cruzi kinesin, putative 0.0023 0.0346 0.0901
Echinococcus granulosus lamin dm0 0.0033 0.0918 0.0838
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0142 0.5
Leishmania major trypanothione reductase 0.0057 0.2408 1
Echinococcus multilocularis lamin 0.0033 0.0918 0.0838
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.3665 0.3603
Loa Loa (eye worm) hypothetical protein 0.0055 0.2259 0.2283
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Loa Loa (eye worm) RNA binding protein 0.0076 0.3586 0.3624
Echinococcus granulosus calpain A 0.0023 0.0346 0.0254
Schistosoma mansoni intermediate filament proteins 0.0033 0.0918 0.0829
Loa Loa (eye worm) calpain family protein 1 0.0078 0.3665 0.3704
Brugia malayi Thioredoxin reductase 0.0057 0.2408 0.2434
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0142 0.0046
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7734 1
Loa Loa (eye worm) calpain 5 0.0023 0.0346 0.035
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3586 0.3523
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3586 0.3561
Echinococcus granulosus lamin 0.0033 0.0918 0.0838
Brugia malayi intermediate filament protein 0.0033 0.0918 0.0928
Brugia malayi RNA binding protein 0.0076 0.3586 0.3624
Loa Loa (eye worm) hypothetical protein 0.0078 0.3665 0.3704
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0346 0.0251
Loa Loa (eye worm) hypothetical protein 0.018 0.9896 1
Schistosoma mansoni lamin 0.0033 0.0918 0.0829
Schistosoma mansoni lamin 0.0033 0.0918 0.0829
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7734 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2408 0.2359
Loa Loa (eye worm) hypothetical protein 0.0041 0.144 0.1455
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2597 0.2624
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0346 0.0901
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0142 0.0045
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3586 0.3624
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6851 0.8837
Loa Loa (eye worm) hypothetical protein 0.0055 0.2259 0.2283
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2408 0.2359
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Loa Loa (eye worm) hypothetical protein 0.0078 0.3665 0.3704
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2408 1
Brugia malayi calpain 5 0.0023 0.0346 0.035
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.2259 0.2206
Plasmodium vivax calpain, putative 0.0023 0.0346 0.0901
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2408 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0882 0.0891
Echinococcus granulosus tar DNA binding protein 0.0076 0.3586 0.3561
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0142 0.5
Echinococcus multilocularis calpain 0.0023 0.0346 0.0254
Brugia malayi calpain family protein 1 0.0078 0.3665 0.3704
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0346 0.0901
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0346 0.0251
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0918 0.0928
Schistosoma mansoni hypothetical protein 0.0041 0.144 0.1356
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6851 0.8837
Trypanosoma brucei kinesin, putative 0.0023 0.0346 0.0901
Loa Loa (eye worm) glutathione reductase 0.0057 0.2408 0.2434
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0142 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.401893475 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (binding) 0.1 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.5481 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) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.1093 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 JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 39.8107 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) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 281.8383 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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