Detailed information for compound 1369389

Basic information

Technical information
  • TDR Targets ID: 1369389
  • Name: [2-(methyl-phenylamino)-2-oxoethyl] 4-cyanobe nzoate
  • MW: 294.305 | Formula: C17H14N2O3
  • H donors: 0 H acceptors: 3 LogP: 2.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccccc1)C(=O)COC(=O)c1ccc(cc1)C#N
  • InChi: 1S/C17H14N2O3/c1-19(15-5-3-2-4-6-15)16(20)12-22-17(21)14-9-7-13(11-18)8-10-14/h2-10H,12H2,1H3
  • InChiKey: HXROGCGIEAOBKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(methyl-phenyl-amino)-2-oxo-ethyl] 4-cyanobenzoate
  • 4-cyanobenzoic acid [2-(methyl-phenylamino)-2-oxoethyl] ester
  • 4-cyanobenzoic acid [2-keto-2-(methyl-phenyl-amino)ethyl] ester
  • T0505-8093
  • Oprea1_649900
  • Enamine_001765
  • ZINC03217342

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense trypanothione 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable reductase 0.0202 0.6966 0.8919
Brugia malayi MH2 domain containing protein 0.0104 0.3314 0.4077
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.0551 0.7701
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0551 0.8844
Trichomonas vaginalis ap endonuclease, putative 0.0033 0.0623 0.0099
Loa Loa (eye worm) thioredoxin reductase 0.0088 0.2718 0.3469
Brugia malayi jmjC domain containing protein 0.0079 0.2375 0.2847
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0246 0.0057
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0033 0.0623 0.0332
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0501 0.0197
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0021 0.0202 0.0259
Loa Loa (eye worm) hypothetical protein 0.0042 0.0958 0.1223
Leishmania major trypanothione reductase 0.0088 0.2718 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.0202 0.3252
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0551 0.1001
Loa Loa (eye worm) jmjC domain-containing protein 0.005 0.1276 0.1629
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0202 0.6966 0.889
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0501 0.0197
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0551 0.0992
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0033 0.0623 1
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Echinococcus granulosus lysine specific demethylase 5A 0.0029 0.0501 0.0786
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0202 0.3252
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0551 0.1384
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0202 0.0259
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0088 0.2718 0.348
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0551 0.2026
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0079 0.2375 0.8498
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0202 0.3252
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0202 0.6966 0.8919
Brugia malayi glutathione reductase 0.0088 0.2718 0.3296
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0033 0.0623 1
Schistosoma mansoni ap endonuclease 0.0033 0.0623 0.0323
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0079 0.2375 0.8498
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0224 0.781 1
Brugia malayi exodeoxyribonuclease III family protein 0.0033 0.0623 0.0551
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0033 0.0623 0.2291
Loa Loa (eye worm) hypothetical protein 0.0021 0.0202 0.0258
Brugia malayi Thioredoxin reductase 0.0088 0.2718 0.3296
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0033 0.0623 0.1288
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0224 0.781 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0246 0.0057
Toxoplasma gondii exonuclease III APE 0.0033 0.0623 0.13
Toxoplasma gondii thioredoxin reductase 0.0088 0.2718 1
Plasmodium falciparum glutathione reductase 0.0031 0.0551 0.2026
Echinococcus granulosus thioredoxin glutathione reductase 0.0089 0.2741 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0029 0.0501 0.0786
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0202 0.3252
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0551 0.8844
Mycobacterium ulcerans hypothetical protein 0.0021 0.0202 0.3252
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Loa Loa (eye worm) MH2 domain-containing protein 0.0104 0.3314 0.423
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0033 0.0623 0.1288
Schistosoma mansoni ap endonuclease 0.0033 0.0623 0.0323
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.031 0.0395
Trypanosoma cruzi trypanothione reductase, putative 0.0088 0.2718 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0551 0.8844
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0033 0.0623 0.167
Treponema pallidum exodeoxyribonuclease (exoA) 0.0033 0.0623 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0202 0.6966 0.8919
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0033 0.0623 0.0797
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0033 0.0623 1
Plasmodium falciparum phd finger protein, putative 0.0024 0.031 0.1139
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0551 0.0249
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0033 0.0623 1
Trichomonas vaginalis glucosylceramidase, putative 0.0156 0.5233 0.6428
Brugia malayi jmjC domain containing protein 0.0029 0.0501 0.0391
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0551 0.0456
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0551 0.1384
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Plasmodium falciparum thioredoxin reductase 0.0088 0.2718 1
Schistosoma mansoni jumonji domain containing protein 0.0063 0.1764 0.1501
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Plasmodium vivax hypothetical protein, conserved 0.0024 0.031 0.1139
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0551 0.1384
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0033 0.0623 0.0332
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0202 0.3252
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0033 0.0623 0.0795
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Loa Loa (eye worm) transcription factor SMAD2 0.0104 0.3314 0.423
Onchocerca volvulus Glucosylceramidase homolog 0.0148 0.4935 1
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.4935 0.6019
Echinococcus multilocularis thioredoxin glutathione reductase 0.0089 0.2741 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0021 0.0202 0.3252
Mycobacterium tuberculosis Probable dehydrogenase 0.0202 0.6966 0.8919
Plasmodium vivax thioredoxin reductase, putative 0.0088 0.2718 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0224 0.781 1
Onchocerca volvulus Alhambra homolog 0.0024 0.031 0.0226
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0551 1
Echinococcus multilocularis jumonji domain containing protein 0.0034 0.0665 0.1463
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0551 0.0992
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0033 0.0623 0.0332
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0501 0.0639
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0202 0.6966 0.8919
Brugia malayi Bromodomain containing protein 0.0024 0.031 0.014
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0551 0.1384
Trichomonas vaginalis glucosylceramidase, putative 0.0156 0.5233 0.6428
Plasmodium falciparum glutathione reductase 0.0088 0.2718 1
Loa Loa (eye worm) glutathione reductase 0.0088 0.2718 0.3469
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0021 0.0202 0.3252
Trichomonas vaginalis ap endonuclease, putative 0.0033 0.0623 0.0099
Brugia malayi PHD-finger family protein 0.0024 0.031 0.014
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0551 0.1001
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0033 0.0623 0.2291
Trypanosoma brucei trypanothione reductase 0.0088 0.2718 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0551 0.2026
Loa Loa (eye worm) hypothetical protein 0.0024 0.031 0.0395
Plasmodium vivax glutathione reductase, putative 0.0088 0.2718 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0551 0.2026
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0202 0.6966 0.8919
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0224 0.781 1
Echinococcus granulosus jumonji domain containing protein 0.0034 0.0665 0.1463
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0225 0.7835 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0202 0.0258
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0551 0.2026
Plasmodium falciparum thioredoxin reductase 0.0031 0.0551 0.2026
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0225 0.7835 1
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.7835 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0551 0.0705
Loa Loa (eye worm) hypothetical protein 0.0021 0.0202 0.0258

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 5.9728 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 50.1187 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) 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: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 316.2278 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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.

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