Detailed information for compound 1347183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 562.615 | Formula: C33H30N4O5
  • H donors: 2 H acceptors: 3 LogP: 3.82 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)c1nc2ccc(cc2c(=O)n1Cc1ccccc1)NC(=O)C
  • InChi: 1S/C33H30N4O5/c1-21(38)34-26-10-13-28(14-11-26)42-20-25-17-24(9-16-31(25)41-3)32-36-30-15-12-27(35-22(2)39)18-29(30)33(40)37(32)19-23-7-5-4-6-8-23/h4-18H,19-20H2,1-3H3,(H,34,38)(H,35,39)
  • InChiKey: QKYFHPGDJYRBPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase 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
Trypanosoma cruzi trypanothione reductase, putative 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase 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
Toxoplasma gondii 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
Plasmodium falciparum 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
Leishmania mexicana 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
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
Loa Loa (eye worm) glutathione 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
Neospora caninum Glutathione reductase, related 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
Trypanosoma congolense trypanothione 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
Leishmania major 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
Brugia malayi 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
Echinococcus multilocularis thioredoxin 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
Plasmodium knowlesi thioredoxin reductase, putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
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 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 %
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 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0033 0.0171
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.0077
Plasmodium falciparum glutathione reductase 0.0057 0.0525 0.274
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.0236
Trypanosoma brucei trypanothione reductase 0.0057 0.0525 0.2614
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0033 0.0171
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0533 0.2656
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0156 0.0183
Brugia malayi glutaminase DH11.1 0.0532 0.679 1
Loa Loa (eye worm) glutaminase 2 0.0532 0.679 1
Brugia malayi jmjC domain containing protein 0.0058 0.0533 0.074
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0077 0.0077
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0232 0.1057
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.0077
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0156 0.0656
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0163 0.1916 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0525 0.2614
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0775 1 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0163 0.1916 1
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0533 0.2656
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0232 0.1057
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0047 0.0393 0.0533
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0163 0.1916 0.2822
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0163 0.1916 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.0114
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0533 0.074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0156 0.0183
Toxoplasma gondii thioredoxin reductase 0.0057 0.0525 0.2614
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.149 0.149
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0163 0.1916 0.2787
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0232 0.0295
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0033 0.0171
Brugia malayi Thioredoxin reductase 0.0057 0.0525 0.0729
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.0066
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0525 0.2614
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0033 0.0033
Mycobacterium tuberculosis Probable reductase 0.013 0.149 0.149
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0077 0.0077
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2454 0.3614
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.0077
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0163 0.1916 1
Loa Loa (eye worm) glutaminase 0.0532 0.679 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0156 0.0183
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0525 0.274
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0077 0.0077
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2824 0.4131
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0525 0.0525
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0047 0.0393 0.0533
Brugia malayi jmjC domain containing protein 0.0058 0.0533 0.074
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.0066
Schistosoma mansoni glutaminase 0.0532 0.679 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0033 0.0171
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0033 0.0033
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.084
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.023
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.0114
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0077 0.0077
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0047 0.0393 0.1911
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0533 0.0785
Plasmodium falciparum glutathione reductase 0.002 0.0033 0.0171
Plasmodium falciparum phenylalanine--tRNA ligase 0.0047 0.0393 0.205
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0163 0.1916 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0163 0.1916 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0525 0.2614
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0033 0.0033
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0533 0.074
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0163 0.1916 1
Onchocerca volvulus 0.0029 0.0156 0.0288
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0047 0.0393 0.0533
Mycobacterium ulcerans hypothetical protein 0.0023 0.0077 0.0077
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1682 0.1682
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0047 0.0393 0.0533
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0163 0.1916 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0047 0.0393 0.0533
Mycobacterium ulcerans glutaminase 0.0532 0.679 0.679
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.149 0.149
Brugia malayi glutathione reductase 0.0057 0.0525 0.0729
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.0114
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0047 0.0393 0.205
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0156 0.0656
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0047 0.0393 0.0578
Trichomonas vaginalis glutaminase, putative 0.0532 0.679 1
Plasmodium falciparum thioredoxin reductase 0.002 0.0033 0.0171
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0047 0.0393 0.1911
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0533 0.074
Brugia malayi Pre-SET motif family protein 0.0203 0.2454 0.3583
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0156 0.0656
Plasmodium falciparum phenylalanine--tRNA ligase 0.0047 0.0393 0.205
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1682 0.1682
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0033 0.0033
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.0236
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0142 0.0581
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0533 0.2656
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.149 0.149
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.084
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.149 0.8805
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0525 0.0773
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0047 0.0393 0.1911
Loa Loa (eye worm) glutathione reductase 0.0057 0.0525 0.0773
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0047 0.0393 0.205
Plasmodium vivax SET domain protein, putative 0.0029 0.0156 0.0816
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0163 0.1916 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.149 0.149
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0156 0.0656
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0163 0.1916 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1682 0.1682
Brugia malayi Pre-SET motif family protein 0.0029 0.0156 0.0183
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.084
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.149 0.149
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0775 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.0236
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0115 0.1295 0.759
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0156 0.0183
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0533 0.2656
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.0066
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0163 0.1916 0.2787
Onchocerca volvulus 0.0231 0.2824 1
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0775 1 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0525 0.274
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1682 1
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0163 0.1916 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0163 0.1916 0.2787
Leishmania major trypanothione reductase 0.0057 0.0525 0.2614
Brugia malayi hypothetical protein 0.0035 0.0232 0.0295
Plasmodium falciparum thioredoxin reductase 0.0057 0.0525 0.274
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.084
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0035 0.0232 0.0295

Activities

Activity type Activity value Assay description Source 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) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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