Detailed information for compound 1311157

Basic information

Technical information
  • TDR Targets ID: 1311157
  • Name: N-[4-[4-(4-chlorobenzoyl)-1-methylpyrrolidin- 3-yl]phenyl]acetamide
  • MW: 356.846 | Formula: C20H21ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC(C(C1)C(=O)c1ccc(cc1)Cl)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C20H21ClN2O2/c1-13(24)22-17-9-5-14(6-10-17)18-11-23(2)12-19(18)20(25)15-3-7-16(21)8-4-15/h3-10,18-19H,11-12H2,1-2H3,(H,22,24)
  • InChiKey: XGHOWVUWSUQUJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[4-(4-chlorobenzoyl)-1-methyl-pyrrolidin-3-yl]phenyl]acetamide
  • N-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolidinyl]phenyl]acetamide
  • N-[4-[4-(4-chlorophenyl)carbonyl-1-methyl-pyrrolidin-3-yl]phenyl]ethanamide
  • MLS000721107
  • N-{4-[4-(4-chlorobenzoyl)-1-methyltetrahydro-1H-pyrrol-3-yl]phenyl}acetamide
  • SMR000335295
  • 5N-750
  • Oprea1_547209

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Loa Loa (eye worm) glutathione 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione 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 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
Echinococcus granulosus thioredoxin glutathione reductase 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
Theileria parva thioredoxin reductase, putative 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
Plasmodium falciparum glutathione 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 thioredoxin reductase, putative 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
Brugia malayi Thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Plasmodium falciparum thioredoxin 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
Leishmania braziliensis trypanothione 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
Neospora caninum MGC84926 protein, related 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii 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 vivax glutathione 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum thioredoxin reductase 0.0057 0.0718 0.1256
Loa Loa (eye worm) hypothetical protein 0.0056 0.0698 0.1589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.156 0.156
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0698 0.0698
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0308 0.0673
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.156 0.3611
Trypanosoma brucei unspecified product 0.0058 0.0741 0.3051
Echinococcus multilocularis dna polymerase eta 0.0135 0.2243 0.2243
Brugia malayi mbt repeat family protein 0.0049 0.0565 0.1152
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0332 0.0332
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.3396 0.3396
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0698 0.0698
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2148 0.3224
Loa Loa (eye worm) hypothetical protein 0.004 0.0382 0.0845
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.2676 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.0741 0.3051
Plasmodium vivax SET domain protein, putative 0.0034 0.0274 0.038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.062 0.062
Loa Loa (eye worm) RNA binding protein 0.0127 0.2092 0.4859
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.156 0.156
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0332 0.0332
Schistosoma mansoni terminal deoxycytidyl transferase 0.0058 0.0741 0.0741
Loa Loa (eye worm) MBCTL1 0.0056 0.0698 0.1589
Brugia malayi Bromodomain containing protein 0.0078 0.1126 0.2486
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2432 0.3864
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.062 0.062
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2148 0.3224
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.006 0.006
Echinococcus granulosus tar DNA binding protein 0.0127 0.2092 0.2092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.156 0.156
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0284 0.5153 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0058 0.0741 0.0741
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0661 0.1144
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2092 0.2092
Echinococcus multilocularis transcription factor btf3 0.0036 0.0308 0.0308
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.062 0.062
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0565 0.0626
Echinococcus granulosus dna polymerase kappa 0.0058 0.0741 0.0741
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.0741 0.3051
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0095 0.1458 0.5307
Brugia malayi ImpB/MucB/SamB family protein 0.0135 0.2243 0.5145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0274 0.0274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.156 0.156
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0698 0.0698
Echinococcus granulosus dna polymerase eta 0.0135 0.2243 0.2243
Toxoplasma gondii hypothetical protein 0.0054 0.0661 0.2236
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Brugia malayi glutathione reductase 0.0057 0.0718 0.1516
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0565 0.0565
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.062 0.062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.156 0.156
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0157 0.2676 0.5116
Loa Loa (eye worm) hypothetical protein 0.0044 0.0469 0.1049
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0815 0.0815
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2092 0.2092
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.006 0.006
Leishmania major basic transcription factor 3a, putative 0.0036 0.0308 0.105
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.0741 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Loa Loa (eye worm) hypothetical protein 0.0049 0.0565 0.1276
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Loa Loa (eye worm) glutathione reductase 0.0057 0.0718 0.1635
Onchocerca volvulus 0.0273 0.4929 1
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0308 0.105
Plasmodium falciparum glutathione reductase 0.0057 0.0718 0.1256
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.4283 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0274 0.0274
Trichomonas vaginalis DNA polymerase eta, putative 0.0058 0.0741 0.0936
Leishmania major DNA polymerase eta, putative 0.0135 0.2243 1
Trypanosoma brucei unspecified product 0.004 0.0387 0.1417
Schistosoma mansoni bromodomain containing protein 0.0066 0.0888 0.0888
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.0741 0.3051
Trichomonas vaginalis set domain proteins, putative 0.0273 0.4929 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0058 0.0741 0.0051
Loa Loa (eye worm) hypothetical protein 0.0024 0.0081 0.014
Trypanosoma cruzi DNA polymerase eta, putative 0.0095 0.1458 0.6369
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0308 0.0875
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2092 0.4859
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.4386
Plasmodium vivax glutathione reductase, putative 0.0057 0.0718 0.1256
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0058 0.0741 0.0936
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.4485
Giardia lamblia DINP protein human, muc B family 0.0058 0.0741 0.5
Brugia malayi Pre-SET motif family protein 0.024 0.4283 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.156 0.156
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2092 0.4859
Loa Loa (eye worm) hypothetical protein 0.0052 0.062 0.1405
Echinococcus granulosus transcription factor btf3 0.0036 0.0308 0.0308
Schistosoma mansoni transcription factor btf3 0.0036 0.0308 0.0308
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0274 0.0743
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0661 0.1144
Leishmania major DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Brugia malayi beta-NAC-like protein 0.0036 0.0308 0.054
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0815 0.0815
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0387 0.1417
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0157 0.2676 0.2676
Brugia malayi RNA binding protein 0.0127 0.2092 0.4786
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0565 0.0565
Schistosoma mansoni DNA polymerase eta 0.0135 0.2243 0.2243
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.5116
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0058 0.0741 0.1688
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2432 0.3942
Schistosoma mansoni hypothetical protein 0.0532 1 1
Echinococcus multilocularis dna polymerase kappa 0.0058 0.0741 0.0741
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0284 0.5153 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2432 0.3864
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2148 0.3224
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2092 0.4786
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0058 0.0741 0.0741
Brugia malayi Pre-SET motif family protein 0.0034 0.0274 0.0459
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0284 0.5153 1
Leishmania major trypanothione reductase 0.0057 0.0718 0.2947
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.3396 0.3396
Loa Loa (eye worm) hypothetical protein 0.0042 0.043 0.0958
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2092 0.2092
Brugia malayi Bromodomain containing protein 0.004 0.038 0.0712
Schistosoma mansoni hypothetical protein 0.03 0.5455 0.5455
Schistosoma mansoni hypothetical protein 0.0532 1 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0284 0.5153 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0565 0.1276
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.0741 0.3051
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.006 0.006
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0308 0.0448
Brugia malayi Thioredoxin reductase 0.0057 0.0718 0.1516
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0387 0.1417
Schistosoma mansoni peptidase Clp (S14 family) 0.0157 0.2676 0.2676
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0274 0.0274
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0565 0.0565
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0565 0.0565
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2148 0.3224
Schistosoma mansoni hypothetical protein 0.0021 0.0021 0.0021
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0249 0.0249
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0284 0.5153 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.2676 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0698 0.0698
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.4386
Trypanosoma brucei unspecified product 0.004 0.0387 0.1417
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.5
Onchocerca volvulus 0.0049 0.0565 0.0626
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0058 0.0741 0.0741
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0718 0.0718
Leishmania major DNA polymerase eta, putative 0.0095 0.1458 0.6369
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2148 0.3224
Echinococcus multilocularis geminin 0.0532 1 1
Brugia malayi mbt repeat family protein 0.0049 0.0565 0.1152
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2092 0.2092
Brugia malayi Probable ClpP-like protease 0.0157 0.2676 0.6175
Loa Loa (eye worm) hypothetical protein 0.0135 0.2243 0.5213
Loa Loa (eye worm) hypothetical protein 0.0157 0.2676 0.6229
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0698 0.0698
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0103 0.1617 0.2027
Trypanosoma brucei DNA polymerase eta, putative 0.0135 0.2243 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0103 0.1617 0.2027
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.2676 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0565 0.0565
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0387 0.1417
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.2148 0.3309
Mycobacterium tuberculosis Probable reductase 0.013 0.2148 0.3224
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0157 0.2676 0.2676
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.1617 0.2128
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.1617 0.1617
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0718 0.1635
Brugia malayi TAR-binding protein 0.0127 0.2092 0.4786
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2092 0.2092
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2092 0.2092
Treponema pallidum hypothetical protein 0.0284 0.5153 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0718 0.1256
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0718 0.0718
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0308 0.0448
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0698 0.1469
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0565 0.0565
Toxoplasma gondii thioredoxin reductase 0.0057 0.0718 0.2455
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2432 0.3864
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0565 0.0565
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0718 0.2947
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.1617 0.1617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.156 0.156
Trypanosoma brucei trypanothione reductase 0.0057 0.0718 0.2947
Trypanosoma cruzi DNA polymerase eta, putative 0.0135 0.2243 1
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0308 0.105
Brugia malayi PHD-finger family protein 0.0026 0.0108 0.0065
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.156 0.352
Entamoeba histolytica deoxycytidyl transferase, putative 0.0058 0.0741 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0741 0.3051
Loa Loa (eye worm) hypothetical protein 0.0074 0.1039 0.2387
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.0741 0.157
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0157 0.2676 0.4485
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0308 0.105

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 18.526 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) 19.9526 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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