Detailed information for compound 1387255

Basic information

Technical information
  • TDR Targets ID: 1387255
  • Name: ethyl 2-acetamido-3-acetyloxy-3-[3-[bis(2-chl oroethyl)amino]phenyl]propanoate
  • MW: 433.326 | Formula: C19H26Cl2N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.59 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(c1cccc(c1)C(C(C(=O)OCC)NC(=O)C)OC(=O)C)CCCl
  • InChi: 1S/C19H26Cl2N2O5/c1-4-27-19(26)17(22-13(2)24)18(28-14(3)25)15-6-5-7-16(12-15)23(10-8-20)11-9-21/h5-7,12,17-18H,4,8-11H2,1-3H3,(H,22,24)
  • InChiKey: KAEOBVIVPGBJCY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-acetamido-3-acetoxy-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoate
  • 2-acetamido-3-acetoxy-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester
  • 2-acetamido-3-acetoxy-3-[3-[bis(2-chloroethyl)amino]phenyl]propionic acid ethyl ester
  • BAS 00535409
  • MLS000526751
  • SMR000117225
  • 3-Acetoxy-2-acetylamino-3-{3-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi thioredoxin 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum 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
Schistosoma japonicum ko:K07611 lamin, 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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
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 berghei 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva thioredoxin 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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin 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
Loa Loa (eye worm) hypothetical protein 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase 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
Cryptosporidium parvum thioredoxin reductase 1 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
Echinococcus multilocularis muscleblind 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament 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
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
Trypanosoma brucei trypanothione 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 granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus 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
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 483 aa 23.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.018 0.1159
Onchocerca volvulus 0.0036 0.0777 0.0137
Trypanosoma brucei trypanothione reductase 0.0057 0.1551 1
Loa Loa (eye worm) CYP4Cod1 0.0052 0.1355 0.1355
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9963 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0777 0.0777
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.018 0.1326
Loa Loa (eye worm) hypothetical protein 0.0037 0.0808 0.0808
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.018 0.1159
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0094 0.0094
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4238 0.8881
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.018 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.1355 0.1355
Onchocerca volvulus Deterin homolog 0.0287 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0777 0.0777
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.018 0.1159
Loa Loa (eye worm) glutathione reductase 0.0057 0.1551 0.1551
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.018 0.1159
Loa Loa (eye worm) hypothetical protein 0.0287 1 1
Echinococcus multilocularis lamin 0.0033 0.0649 0.0649
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0649 0.0649
Brugia malayi Muscleblind-like protein 0.018 0.6081 0.6081
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.018 0.1159
Onchocerca volvulus 0.0287 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Leishmania major cytochrome p450-like protein 0.0052 0.1355 0.874
Trypanosoma brucei cytochrome P450, putative 0.0052 0.1355 0.874
Echinococcus multilocularis inhibitor of apoptosis protein 0.0287 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.018 0.1159
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4238 0.8881
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4772 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0649 0.0649
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.018 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Echinococcus granulosus intermediate filament protein 0.0033 0.0649 0.0649
Leishmania major trypanothione reductase 0.0057 0.1551 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.003 0.003
Echinococcus multilocularis musashi 0.0033 0.0649 0.0649
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0777 0.0777
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8687 0.8687
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0287 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4772 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4772 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1551 0.1551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0777 0.0777
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.018 0.1159
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.018 0.1159
Plasmodium falciparum thioredoxin reductase 0.0057 0.1551 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1551 0.1551
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.018 0.1159
Brugia malayi Cytochrome P450 family protein 0.0052 0.1355 0.1355
Echinococcus granulosus lamin 0.0033 0.0649 0.0649
Onchocerca volvulus 0.0286 0.9963 0.996
Loa Loa (eye worm) hypothetical protein 0.018 0.6081 0.6081
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.018 0.018
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.018 0.1159
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.1355 0.1355
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Mycobacterium tuberculosis Probable reductase 0.013 0.4238 0.8881
Echinococcus multilocularis lamin dm0 0.0033 0.0649 0.0649
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.003 0.003
Plasmodium vivax glutathione reductase, putative 0.0057 0.1551 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.1551 1
Schistosoma mansoni lamin 0.0033 0.0649 0.0649
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0777 0.0777
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0094 0.0094
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Brugia malayi Cytochrome P450 family protein 0.0052 0.1355 0.1355
Loa Loa (eye worm) hypothetical protein 0.0036 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.0033 0.0649 0.0649
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.018 0.0376
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0649 0.0649
Brugia malayi Pre-SET motif family protein 0.0251 0.8687 0.8687
Trypanosoma cruzi cytochrome P450, putative 0.0052 0.1355 0.874
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1551 1
Brugia malayi Thioredoxin reductase 0.0057 0.1551 0.1551
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0287 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.018 0.1159
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0287 1 1
Echinococcus granulosus muscleblind protein 0.018 0.6081 0.6081
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.018 0.018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.018 0.5
Brugia malayi Pre-SET motif family protein 0.0036 0.0777 0.0777
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4238 0.8881
Treponema pallidum NADH oxidase 0.002 0.018 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.018 0.1326
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4238 0.8881
Loa Loa (eye worm) hypothetical protein 0.0287 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0649 0.0649
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1551 0.3249
Trypanosoma cruzi cytochrome P450, putative 0.0052 0.1355 0.874
Plasmodium vivax SET domain protein, putative 0.0036 0.0777 0.4358
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0287 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1551 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1551 0.1551
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.018 0.018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Plasmodium falciparum glutathione reductase 0.0057 0.1551 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.018 0.1159
Loa Loa (eye worm) hypothetical protein 0.0015 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0287 1 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0287 1 1
Echinococcus multilocularis muscleblind protein 0.018 0.6081 0.6081
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.018 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.018 0.018
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0052 0.1355 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0728 0.0728
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.018 0.1326
Echinococcus granulosus inhibitor of apoptosis protein 0.0287 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0627 0.0627
Brugia malayi glutathione reductase 0.0057 0.1551 0.1551
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4238 0.8881
Loa Loa (eye worm) hypothetical protein 0.0015 0.0008 0.0008
Brugia malayi intermediate filament protein 0.0033 0.0649 0.0649
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0777 0.0777
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0777 0.5012
Schistosoma mansoni intermediate filament proteins 0.0033 0.0649 0.0649
Echinococcus multilocularis muscleblind protein 1 0.018 0.6081 0.6081
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.4238 0.8881
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.018 0.6081 0.6081
Schistosoma mansoni lamin 0.0033 0.0649 0.0649
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4772 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 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) 20.5962 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) 25.1189 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) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.