Detailed information for compound 1438418

Basic information

Technical information
  • TDR Targets ID: 1438418
  • Name: 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1, 2-oxazole-4-carboxylate
  • MW: 337.369 | Formula: C20H19NO4
  • H donors: 0 H acceptors: 2 LogP: 4.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)OCCOC(=O)c1c(C)onc1c1ccccc1
  • InChi: 1S/C20H19NO4/c1-14-7-6-10-17(13-14)23-11-12-24-20(22)18-15(2)25-21-19(18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3
  • InChiKey: SAMHYHOPAYQFKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-isoxazole-4-carboxylate
  • 5-methyl-3-phenyl-4-isoxazolecarboxylic acid 2-(3-methylphenoxy)ethyl ester
  • 5-methyl-3-phenyl-isoxazole-4-carboxylic acid 2-(3-methylphenoxy)ethyl ester
  • T5417271
  • ZINC03497239

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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-41 0.0098 0.0661 0.0874
Onchocerca volvulus 0.0098 0.0661 0.3807
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0274 0.0362
Echinococcus granulosus tar DNA binding protein 0.0062 0.0358 0.0358
Schistosoma mansoni steroid hormone receptor ad4bp 0.0098 0.0661 0.0661
Brugia malayi ecdysteroid receptor 0.0098 0.0661 0.0874
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0046 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0044 0.0206 0.0273
Loa Loa (eye worm) hypothetical protein 0.0052 0.0274 0.0362
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0924 0.7566 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0053 0.007
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0095 0.0125
Leishmania major DNA polymerase eta, putative 0.0044 0.0206 0.0273
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0098 0.0661 0.0691
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0098 0.0129
Echinococcus granulosus geminin 0.0205 0.1551 0.1551
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0214 0.0224
Schistosoma mansoni hypothetical protein 0.0205 0.1551 0.1551
Echinococcus granulosus thyroid hormone receptor alpha 0.0046 0.0228 0.0228
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0098 0.0661 0.0691
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Brugia malayi nuclear receptor RXR 0.0046 0.0228 0.0301
Brugia malayi nuclear receptor NHR-67 0.0046 0.0228 0.0301
Entamoeba histolytica hypothetical protein 0.0043 0.0204 0.02
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Loa Loa (eye worm) hypothetical protein 0.006 0.0344 0.0455
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0052 0.0274 0.0274
Onchocerca volvulus Bile acid receptor homolog 0.0098 0.0661 0.3807
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0214 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0661 0.0874
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0661 0.0874
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0228 0.0228
Brugia malayi nuclear hormone receptor family member nhr-6 0.0046 0.0228 0.0301
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0358 0.0473
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0098 0.0661 0.0874
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0214 0.0214
Brugia malayi hypothetical protein 0.0043 0.0204 0.0269
Schistosoma mansoni flap endonuclease-1 0.0023 0.0033 0.0033
Brugia malayi orphan nuclear receptor NR2E1 0.0046 0.0228 0.0301
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0924 0.7566 1
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0228 0.0228
Brugia malayi hypothetical protein 0.002 0.0005 0.0007
Brugia malayi hypothetical protein 0.0052 0.0274 0.0362
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0185
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0053 0.0056
Echinococcus granulosus FTZ F1 alpha 0.0098 0.0661 0.0661
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0098 0.0661 0.0874
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0053 0.5459
Echinococcus granulosus transcription factor Dp 1 0.0535 0.4312 0.4312
Loa Loa (eye worm) hypothetical protein 0.0052 0.0274 0.0362
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0098 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0052 0.0274 0.0362
Brugia malayi Flap endonuclease-1 0.0025 0.0053 0.0071
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0924 0.7566 0.7566
Schistosoma mansoni hypothetical protein 0.0205 0.1551 0.1551
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0098 0.0661 0.0874
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0046 0.0228 0.0228
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0053 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0206 0.0273
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0046 0.0228 0.0301
Brugia malayi nuclear receptor NHR-88 0.0046 0.0228 0.0301
Echinococcus multilocularis ecdysone induced protein 78C 0.0098 0.0661 0.0691
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0185 0.0244
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Entamoeba histolytica hypothetical protein 0.0043 0.0204 0.02
Loa Loa (eye worm) hypothetical protein 0.0182 0.1366 0.1805
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0344 0.0455
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0274 0.0362
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Schistosoma mansoni retinoic acid receptor RXR 0.1216 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0053 0.007
Brugia malayi nuclear hormone receptor 0.0046 0.0228 0.0301
Brugia malayi nuclear receptor NHR-88 0.0098 0.0661 0.0874
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0204 0.0204
Echinococcus granulosus ecdysone induced protein 78C 0.0098 0.0661 0.0661
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0924 0.7566 1
Brugia malayi hypothetical protein 0.0052 0.0274 0.0362
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0358 0.0358
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0661 0.0874
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0206 0.0273
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1164 0.9567 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Schistosoma mansoni nuclear receptor 0.0046 0.0228 0.0228
Brugia malayi hypothetical protein 0.0106 0.073 0.0965
Loa Loa (eye worm) steroid hormone receptor 0.0098 0.0661 0.0874
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0046 0.0228 0.0238
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0358 0.0358
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0053 0.5607
Loa Loa (eye worm) DR-78 0.0046 0.0228 0.0301
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0095 1
Leishmania major DNA polymerase eta, putative 0.0031 0.0098 0.0129
Onchocerca volvulus 0.0182 0.1366 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0228 0.0228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0214 0.0214
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0358 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0098 0.0661 0.0874
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0095 1
Schistosoma mansoni nuclear receptor 0.0046 0.0228 0.0228
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0046 0.0228 0.0301
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0053 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0098 1
Schistosoma mansoni hypothetical protein 0.0043 0.0204 0.0204
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0095 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0204 0.0213
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0924 0.7566 0.7908
Brugia malayi TAR-binding protein 0.0062 0.0358 0.0473
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0204 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0214 0.0224
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0098 0.0661 0.0661
Brugia malayi ecdysone receptor 0.0046 0.0228 0.0301
Schistosoma mansoni eyes absent homolog 0.0106 0.073 0.073
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0098 0.0661 0.0874
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0046 0.0228 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0358 0.0358
Loa Loa (eye worm) nuclear receptor NHR-67 0.0046 0.0228 0.0301
Echinococcus granulosus dna polymerase eta 0.0044 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0924 0.7566 1
Brugia malayi Steroid receptor seven-up type 2 0.0098 0.0661 0.0874
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0228 0.0238
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0053 0.007
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0098 0.0661 0.0874
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0098 0.0661 0.3807
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0098 0.0661 0.0661
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0661 0.0691
Echinococcus granulosus nuclear receptor nhr 48 0.0046 0.0228 0.0228
Entamoeba histolytica hypothetical protein 0.0043 0.0204 0.02
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0098 0.0661 0.0661
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0924 0.7566 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0228 0.0238
Onchocerca volvulus Protein ultraspiracle homolog 0.0098 0.0661 0.3807
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0661 0.0691
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0214 0.0214
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0924 0.7566 0.7566
Echinococcus multilocularis dna polymerase eta 0.0044 0.0206 0.0216
Echinococcus granulosus flap endonuclease 1 0.0025 0.0053 0.0053
Schistosoma mansoni DNA polymerase eta 0.0044 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0098 0.0661 0.0661
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0214 0.0214
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0098 0.0661 0.0691
Brugia malayi steroid hormone receptor 0.0098 0.0661 0.0874
Brugia malayi tailless protein 0.0046 0.0228 0.0301
Echinococcus multilocularis thyroid hormone receptor alpha 0.0098 0.0661 0.0691
Loa Loa (eye worm) hypothetical protein 0.0052 0.0274 0.0362
Loa Loa (eye worm) hypothetical protein 0.0106 0.073 0.0965
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0098 0.0661 0.0661
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0052 0.0274 0.0274
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0228 0.0238
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0095 0.0125
Entamoeba histolytica hypothetical protein 0.0043 0.0204 0.02
Brugia malayi nuclear hormone receptor family member odr-7 0.0046 0.0228 0.0301
Echinococcus multilocularis transcription factor Dp 1 0.0535 0.4312 0.4508
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0052 0.0274 0.0274
Schistosoma mansoni nuclear hormone receptor 0.0098 0.0661 0.0661
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0098 0.0661 0.0874
Plasmodium falciparum flap endonuclease 1 0.0025 0.0053 0.5607
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0098 0.0661 0.0661
Brugia malayi conserved hypotetical protein 0.0046 0.0228 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0661 0.0874
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0098 0.0661 0.0874
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0661 0.0874
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0052 0.0274 0.0286
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0098 0.0661 0.0874
Brugia malayi RNA binding protein 0.0062 0.0358 0.0473
Loa Loa (eye worm) RNA binding protein 0.0062 0.0358 0.0473
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0214 0.0283
Loa Loa (eye worm) hypothetical protein 0.0106 0.073 0.0965
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0358 0.0473
Brugia malayi hypothetical protein 0.0046 0.0228 0.0301
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0098 0.0661 0.0661
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0098 0.0661 0.0691
Loa Loa (eye worm) nuclear hormone receptor 0.0046 0.0228 0.0301
Brugia malayi photoreceptor-specific nuclear receptor 0.0098 0.0661 0.0874
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0098 0.0661 0.0661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0344 0.0455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0344 0.0455
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0214 0.0214
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0661 0.0661
Schistosoma mansoni zinc finger protein 0.0046 0.0228 0.0228
Brugia malayi nuclear receptor RXR 0.0052 0.0274 0.0362
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0098 0.0661 0.0661
Brugia malayi nuclear hormone receptor 0.0098 0.0661 0.0874
Loa Loa (eye worm) hypothetical protein 0.0041 0.0185 0.0244
Brugia malayi hypothetical protein 0.003 0.0095 0.0126
Loa Loa (eye worm) hypothetical protein 0.003 0.0095 0.0126
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0095 0.9736
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0924 0.7566 1
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0228 0.0301
Leishmania major hypothetical protein, conserved 0.003 0.0095 0.0125
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0053 0.0071
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0098 0.0661 0.0874
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0274 0.0362
Schistosoma mansoni nuclear receptor nhr-48 0.0046 0.0228 0.0228
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0095 0.0125
Echinococcus multilocularis FTZ F1 alpha 0.0098 0.0661 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0098 0.0661 0.0874
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0924 0.7566 1
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0228 0.0301
Schistosoma mansoni RAR-like nuclear receptor 0.0098 0.0661 0.0661
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0661 0.0661
Brugia malayi Nuclear hormone receptor-like 1 0.0098 0.0661 0.0874
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0358 0.0473
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0661 0.0874
Brugia malayi hypothetical protein 0.0182 0.1366 0.1805
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0301
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0228 0.0228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0098 0.0661 0.0874
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0098 0.0661 0.0874
Schistosoma mansoni coup transcription factor 0.0098 0.0661 0.0661
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0228 0.0228
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0206 0.0273
Echinococcus multilocularis geminin 0.0205 0.1551 0.1621
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0052 0.0274 0.0362
Echinococcus multilocularis nuclear receptor nhr 48 0.0046 0.0228 0.0238
Loa Loa (eye worm) hypothetical protein 0.0098 0.0661 0.0874
Brugia malayi hypothetical protein 0.0046 0.0228 0.0301

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 120 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activators of 5'UTR Stem-Loop Driven Prion Protein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1829 (Project Summary), 1814 (Primary HTS)] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 44.6684 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) = 50.1187 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 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) 56.2341 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) 70.7946 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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