Detailed information for compound 1405594

Basic information

Technical information
  • TDR Targets ID: 1405594
  • Name: 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4 -oxoquinazolin-3-yl]acetamide
  • MW: 431.441 | Formula: C24H21N3O5
  • H donors: 1 H acceptors: 2 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCC(=O)Nn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
  • InChi: 1S/C24H21N3O5/c1-30-17-9-7-16(8-10-17)23-25-21-6-4-3-5-20(21)24(29)27(23)26-22(28)15-32-19-13-11-18(31-2)12-14-19/h3-14H,15H2,1-2H3,(H,26,28)
  • InChiKey: DZQMAGNTXHFFGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-quinazolin-3-yl]acetamide
  • 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-3-quinazolinyl]acetamide
  • 2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-quinazolin-3-yl]ethanamide
  • 2-(4-Methoxy-phenoxy)-N-[2-(4-methoxy-phenyl)-4-oxo-4H-quinazolin-3-yl]-acetamide
  • MLS000590938
  • N-[4-keto-2-(4-methoxyphenyl)quinazolin-3-yl]-2-(4-methoxyphenoxy)acetamide
  • Oprea1_318501
  • SMR000217810
  • STK065390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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 muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1421 0.1408
Brugia malayi Muscleblind-like protein 0.018 0.799 1
Brugia malayi Death domain containing protein 0.0015 0.0419 0.0524
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0309 0.0387
Brugia malayi eukaryotic initiation factor 4A 0.0176 0.7799 0.9762
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0485 0.0471
Brugia malayi MH2 domain containing protein 0.0144 0.6335 0.793
Loa Loa (eye worm) hypothetical protein 0.0015 0.0424 0.0531
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0309 0.0378
Brugia malayi nuclear receptor NHR-67 0.0006 0.0015 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0309 0.0387
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0046 0.0041
Brugia malayi orphan nuclear receptor NR2E1 0.0006 0.0015 0.0019
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0485 0.0471
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0419 0.0519
Echinococcus granulosus death domain containing protein 0.0015 0.0419 0.0405
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0176 0.7799 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6335 0.793
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1142 0.0898
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0309 0.0295
Echinococcus granulosus smad 0.001 0.02 0.0186
Brugia malayi MH1 domain containing protein 0.001 0.02 0.0251
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0419 0.0519
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0309 0.0295
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0058
Echinococcus multilocularis Smad4 0.001 0.02 0.0186
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0176 0.7799 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0309 0.0387
Brugia malayi hypothetical protein 0.0037 0.1421 0.1778
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0309 0.0295
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0046 0.0032
Loa Loa (eye worm) hypothetical protein 0.0015 0.0419 0.0524
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0015 0.0019
Echinococcus multilocularis Ankyrin 0.0015 0.0424 0.041
Leishmania major eukaryotic initiation factor 4a, putative 0.0176 0.7799 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.31 0.3964
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0419 0.0405
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0006 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.31 0.309
Plasmodium vivax RNA helicase-1, putative 0.0176 0.7799 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0309 0.0387
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0046 0.0032
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1142 0.0898
Leishmania major hypothetical protein, conserved 0.003 0.1142 0.0898
Brugia malayi Smad1 0.001 0.02 0.0251
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0309 0.0378
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0176 0.7799 0.7796
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.02 0.0251
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0309 0.0387
Brugia malayi nuclear receptor NHR-88 0.0006 0.0015 0.0019
Schistosoma mansoni smad1 5 8 and 0.001 0.02 0.0238
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0309 0.0378
Loa Loa (eye worm) Smad1 0.001 0.02 0.0251
Echinococcus granulosus Ankyrin 0.0015 0.0424 0.041
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1142 0.0898
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0309 0.0387
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0309 0.0387
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0309 0.0387
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0309 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0309 0.0387
Loa Loa (eye worm) DR-78 0.0006 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0419 0.0524
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0419 0.0405
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.018 0.799 1
Brugia malayi ecdysteroid receptor 0.0012 0.0309 0.0387
Brugia malayi hypothetical protein 0.0006 0.0046 0.0058
Brugia malayi MH2 domain containing protein 0.001 0.02 0.0251
Echinococcus multilocularis geminin 0.0172 0.7612 0.7609
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0375 0.0361
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0309 0.0295
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0309 0.0378
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1142 0.0898
Brugia malayi nuclear receptor NHR-88 0.0012 0.0309 0.0387
Loa Loa (eye worm) hypothetical protein 0.0176 0.7799 0.9762
Schistosoma mansoni hypothetical protein 0.0172 0.7612 0.976
Brugia malayi conserved hypotetical protein 0.0006 0.0015 0.0019
Echinococcus granulosus muscleblind protein 0.018 0.799 0.7987
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0046 0.0041
Brugia malayi nuclear hormone receptor 0.0006 0.0015 0.0019
Schistosoma mansoni hypothetical protein 0.0037 0.1421 0.1806
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6335 0.793
Schistosoma mansoni hypothetical protein 0.0172 0.7612 0.976
Treponema pallidum ATP-dependent RNA helicase 0.0176 0.7799 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0309 0.0378
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1142 0.0898
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.31 0.3576
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0058
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0485 0.0604
Loa Loa (eye worm) hypothetical protein 0.003 0.1142 0.1429
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0309 0.0295
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0309 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0309 0.0387
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0419 0.0405
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0309 0.0378
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0309 0.0387
Brugia malayi Uncoordinated protein 44 0.0015 0.0419 0.0524
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0485 0.0471
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0309 0.0378
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.02 0.0186
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.02 0.0186
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0176 0.7799 0.5
Brugia malayi nuclear receptor RXR 0.0006 0.0046 0.0058
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0309 0.0295
Brugia malayi nuclear hormone receptor family member odr-7 0.0006 0.0015 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0309 0.0387
Brugia malayi steroid hormone receptor 0.0012 0.0309 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0309 0.0387
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.31 0.3964
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Echinococcus multilocularis muscleblind protein 1 0.018 0.799 0.7987
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.018 0.799 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1421 0.1408
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0046 0.0058
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0309 0.0295
Echinococcus multilocularis muscleblind protein 0.018 0.799 0.7987
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0309 0.0295
Schistosoma mansoni netrin receptor unc5 0.0015 0.0419 0.0519
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0176 0.7799 1
Schistosoma mansoni Smad4 0.001 0.02 0.0238
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0309 0.0295
Brugia malayi hypothetical protein 0.0006 0.0015 0.0019
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0309 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0309 0.0387
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0309 0.0378
Brugia malayi hypothetical protein 0.003 0.1142 0.1429
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0309 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0309 0.0387
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0309 0.0295
Brugia malayi ecdysone receptor 0.0006 0.0015 0.0019
Echinococcus granulosus geminin 0.0172 0.7612 0.7609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0309 0.0387
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0309 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0309 0.0387
Leishmania major eukaryotic initiation factor 4a, putative 0.0176 0.7799 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0485 0.0607
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0006 0.0015 0.0019
Echinococcus granulosus eukaryotic initiation factor 4A 0.0176 0.7799 0.7796
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Brugia malayi nuclear receptor RXR 0.0006 0.0015 0.0019
Brugia malayi nuclear hormone receptor family member nhr-6 0.0006 0.0015 0.0019
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0309 0.0295
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0058
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.02 0.0238
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0309 0.0295
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0176 0.7799 0.7796
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1142 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0309 0.0387
Plasmodium falciparum eukaryotic initiation factor 4A 0.0176 0.7799 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0309 0.0295
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0309 0.0387
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0176 0.7799 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.31 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.31 0.3576
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0176 0.7799 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0309 0.0295
Brugia malayi MH2 domain containing protein 0.001 0.02 0.0251
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0419 0.0524
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0015 0.0019
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.02 0.0186
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0309 0.0295
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0176 0.7799 0.7796
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0309 0.0378
Schistosoma mansoni hypothetical protein 0.0015 0.0419 0.0519
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.02 0.0186
Brugia malayi hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0485 0.0607
Schistosoma mansoni hypothetical protein 0.0014 0.0375 0.0463
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0309 0.0295
Brugia malayi hypothetical protein 0.002 0.0649 0.0813
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0309 0.0378
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0176 0.7799 1
Echinococcus multilocularis smad 0.001 0.02 0.0186
Brugia malayi nuclear hormone receptor 0.0012 0.0309 0.0387
Brugia malayi MH1 domain containing protein 0.001 0.02 0.0251
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0046 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0485 0.0471
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.31 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0485 0.0471
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0176 0.7799 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0309 0.0387
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0176 0.7799 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0485 0.0607
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0424 0.0526
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.02 0.0251
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.31 0.3576
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0046 0.0058
Echinococcus granulosus Smad4 0.001 0.02 0.0186
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0309 0.0295
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0176 0.7799 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0309 0.0387
Schistosoma mansoni coup transcription factor 0.0012 0.0309 0.0378
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0375 0.0361
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1421 0.1806
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0176 0.7799 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0176 0.7799 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1142 0.0898
Brugia malayi Protein kinase domain containing protein 0.0015 0.0419 0.0524
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0387
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0176 0.7799 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0309 0.0378
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.31 0.5
Onchocerca volvulus 0.0012 0.0309 0.0378
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0419 0.0405
Brugia malayi tailless protein 0.0006 0.0015 0.0019
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0309 0.0295
Brugia malayi hypothetical protein 0.0006 0.0046 0.0058
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0058
Schistosoma mansoni smad 0.001 0.02 0.0238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0309 0.0387
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0485 0.0471
Schistosoma mansoni smad1 5 8 and 0.001 0.02 0.0238
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0019
Loa Loa (eye worm) nuclear hormone receptor 0.0006 0.0015 0.0019
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.31 0.309
Loa Loa (eye worm) nuclear receptor NHR-67 0.0006 0.0015 0.0019
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0309 0.0378
Schistosoma mansoni smad1 5 8 and 0.001 0.02 0.0238

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 0.1 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) = 8.9125 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
Potency (functional) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.