Detailed information for compound 1283722

Basic information

Technical information
  • TDR Targets ID: 1283722
  • Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetr azol-1-yl)phenoxy]ethanone
  • MW: 335.36 | Formula: C18H17N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1Cc2c(N1C(=O)COc1cccc(c1)n1cnnn1)cccc2
  • InChi: 1S/C18H17N5O2/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)11-25-16-7-4-6-15(10-16)22-12-19-20-21-22/h2-8,10,12-13H,9,11H2,1H3
  • InChiKey: CAENXYNQVKFZNM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-methylindolin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
  • 1-(2-methyl-1-indolinyl)-2-[3-(1-tetrazolyl)phenoxy]ethanone
  • 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]ethanone
  • MLS000058547
  • SMR000068132
  • T5337083

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Echinococcus multilocularis lamin 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lamin 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin 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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus thioredoxin glutathione 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin dm0 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutathione 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
Schistosoma japonicum ko:K07611 lamin, 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major trypanothione 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni intermediate filament proteins 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 cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii thioredoxin 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 falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed 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
Plasmodium knowlesi glutathione 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
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 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0024 0.0189 0.0189
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.292 0.5879
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0056 0.1142 0.1142
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0189 0.0077
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.1142 0.5
Schistosoma mansoni patched 1 0.0061 0.1304 0.1205
Plasmodium vivax glutathione reductase, putative 0.0046 0.0838 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0045 0.082 0.082
Echinococcus multilocularis protein patched 0.0061 0.1304 0.1205
Brugia malayi Steroid receptor seven-up type 2 0.0045 0.082 0.082
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.082 0.0715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1122 0.102
Toxoplasma gondii thioredoxin reductase 0.0046 0.0838 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0045 0.082 0.0715
Mycobacterium tuberculosis Probable reductase 0.0104 0.2575 0.4904
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0045 0.082 0.082
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.082 0.082
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0149 0.3909 0.3839
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.1142 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0045 0.082 0.082
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0045 0.082 0.0715
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0061 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0024 0.0189 0.0189
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1122 0.102
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2575 0.4904
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0052 0.1013 0.1013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.082 0.0715
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.292 0.5879
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0354 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.0449 0.0339
Loa Loa (eye worm) hypothetical protein 0.0052 0.1013 0.1013
Loa Loa (eye worm) glutathione reductase 0.0046 0.0838 0.0838
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0165 0.438 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0189 0.0077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi nuclear receptor NHR-67 0.0021 0.0113 0.0113
Echinococcus granulosus lamin dm0 0.0033 0.0449 0.0339
Schistosoma mansoni coup transcription factor 0.0045 0.082 0.0715
Echinococcus granulosus Protein patched homolog 1 0.0061 0.1304 0.1205
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0449 0.0449
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1122 0.1122
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi CHE-14 protein 0.0061 0.1304 0.1304
Schistosoma mansoni lamin 0.0033 0.0449 0.0339
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0045 0.082 0.0715
Schistosoma mansoni steroid hormone receptor ad4bp 0.0045 0.082 0.0715
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0165 0.438 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Schistosoma mansoni thyroid hormone receptor 0.0045 0.082 0.0715
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.007 0.1559 1
Schistosoma mansoni retinoic acid receptor RXR 0.0045 0.082 0.0715
Onchocerca volvulus 0.0056 0.1142 0.1938
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1122 0.102
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.082 0.082
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0149 0.3909 0.3909
Schistosoma mansoni RAR-like nuclear receptor 0.0045 0.082 0.0715
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0449 0.0449
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.007 0.1559 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0149 0.3909 0.8668
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0045 0.082 0.082
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0045 0.082 0.0715
Brugia malayi hypothetical protein 0.0024 0.0189 0.0189
Plasmodium falciparum glutathione reductase 0.0046 0.0838 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0856 0.0751
Onchocerca volvulus 0.0056 0.1142 0.1938
Loa Loa (eye worm) hypothetical protein 0.0024 0.0189 0.0189
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.292 0.5879
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1122 0.102
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2575 0.4904
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2575 0.4904
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1122 0.102
Schistosoma mansoni intermediate filament proteins 0.0033 0.0449 0.0339
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.082 0.082
Brugia malayi ecdysteroid receptor 0.02 0.5423 0.5423
Brugia malayi steroid hormone receptor 0.0045 0.082 0.082
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0061 0.1304 0.1205
Echinococcus multilocularis ecdysone induced protein 78C 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0056 0.1142 0.1142
Onchocerca volvulus 0.0033 0.0449 0.0632
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.02 0.5423 0.5423
Brugia malayi conserved hypotetical protein 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0024 0.0189 0.0189
Echinococcus granulosus Niemann Pick C1 protein 0.0061 0.1304 0.1205
Brugia malayi photoreceptor-specific nuclear receptor 0.0045 0.082 0.082
Echinococcus multilocularis Niemann Pick C1 protein 0.0061 0.1304 0.1205
Schistosoma mansoni lamin 0.0033 0.0449 0.0339
Echinococcus multilocularis thyroid hormone receptor alpha 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi nuclear hormone receptor 0.0021 0.0113 0.0113
Onchocerca volvulus Protein ultraspiracle homolog 0.0045 0.082 0.1332
Echinococcus granulosus FTZ F1 alpha 0.0045 0.082 0.0715
Echinococcus multilocularis protein dispatched 1 0.0061 0.1304 0.1205
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0838 0.5
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0056 0.1142 0.1041
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0165 0.438 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.082 0.082
Echinococcus multilocularis sterol regulatory element binding protein 0.0061 0.1304 0.1205
Brugia malayi nuclear hormone receptor 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0024 0.0189 0.0189
Onchocerca volvulus Bile acid receptor homolog 0.02 0.5423 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0431 0.0431
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0045 0.082 0.082
Brugia malayi tailless protein 0.0021 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0033 0.0449 0.0449
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2575 0.4904
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0045 0.082 0.1332
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0189 0.0077
Brugia malayi hypothetical protein 0.0021 0.0113 0.0113
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0449 0.0449
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0189 0.0077
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.1142 0.1142
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.007 0.1559 0.5
Brugia malayi Thioredoxin reductase 0.0046 0.0838 0.0838
Echinococcus granulosus lamin 0.0033 0.0449 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0045 0.082 0.082
Brugia malayi glutathione reductase 0.0046 0.0838 0.0838
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0045 0.082 0.082
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0045 0.082 0.0715
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0856 0.0751
Echinococcus multilocularis musashi 0.0033 0.0449 0.0339
Brugia malayi hypothetical protein 0.0024 0.0189 0.0189
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0149 0.3909 0.8668
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0838 0.0838
Onchocerca volvulus 0.0056 0.1142 0.1938
Schistosoma mansoni thyroid hormone receptor 0.0045 0.082 0.0715
Brugia malayi nuclear receptor NHR-88 0.0045 0.082 0.082
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.0113 0.0113
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0165 0.438 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0113 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1122 0.102
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0149 0.3909 0.3909
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.007 0.1559 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0045 0.082 0.082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1122 0.1122
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0045 0.082 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1304 0.3892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1122 0.102
Echinococcus multilocularis lamin 0.0033 0.0449 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0045 0.082 0.082
Brugia malayi ecdysone receptor 0.0021 0.0113 0.0113
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0165 0.438 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi nuclear receptor NHR-88 0.0021 0.0113 0.0113
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0061 0.1304 0.1304
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0045 0.082 0.0715
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2575 0.4904
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.292 1
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0056 0.1142 0.1041
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.0113 0.0113
Echinococcus granulosus intermediate filament protein 0.0033 0.0449 0.0339
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0045 0.082 0.0715
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.0113 0.0113
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.0113 0.0113
Brugia malayi nuclear receptor RXR 0.0021 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0045 0.082 0.082
Echinococcus granulosus ecdysone induced protein 78C 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0113 0.0113
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0149 0.3909 0.3839
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.082 0.0715
Brugia malayi intermediate filament protein 0.0033 0.0449 0.0449
Brugia malayi nuclear receptor RXR 0.0024 0.0189 0.0189
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.082 0.0715
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.1142 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0354 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0189 0.0189
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0149 0.3909 0.8668
Plasmodium falciparum thioredoxin reductase 0.0046 0.0838 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0045 0.082 0.0715
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0045 0.082 0.0715
Schistosoma mansoni nuclear hormone receptor 0.0045 0.082 0.0715
Loa Loa (eye worm) DR-78 0.0021 0.0113 0.0113
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0045 0.082 0.0715
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.1142 0.1142
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0045 0.082 0.0715
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0354 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0045 0.082 0.082
Echinococcus multilocularis FTZ F1 alpha 0.0045 0.082 0.0715
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0189 0.0189
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0354 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0045 0.082 0.082
Onchocerca volvulus 0.0056 0.1142 0.1938
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.082 0.082
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0149 0.3909 0.8668
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0045 0.082 0.082
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0149 0.3909 0.3839
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0165 0.438 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.082 0.082
Echinococcus granulosus sterol regulatory element binding protein 0.0061 0.1304 0.1205
Onchocerca volvulus 0.0045 0.082 0.1332
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0056 0.1142 0.1041
Onchocerca volvulus 0.0033 0.0449 0.0632
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0113
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.082 0.082

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 19.9526 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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