Detailed information for compound 1406098

Basic information

Technical information
  • TDR Targets ID: 1406098
  • Name: 1-[2-(cyclohexyl-cyclopentylamino)ethyl]-3-(3 ,5-dimethylphenyl)thiourea
  • MW: 373.598 | Formula: C22H35N3S
  • H donors: 1 H acceptors: 0 LogP: 5.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)NC(=NCCN(C1CCCCC1)C1CCCC1)S
  • InChi: 1S/C22H35N3S/c1-17-14-18(2)16-19(15-17)24-22(26)23-12-13-25(21-10-6-7-11-21)20-8-4-3-5-9-20/h14-16,20-21H,3-13H2,1-2H3,(H2,23,24,26)
  • InChiKey: QFMLSARVKDKZLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(cyclohexyl-cyclopentyl-amino)ethyl]-3-(3,5-dimethylphenyl)thiourea
  • MLS000683566
  • N-{2-[cyclohexyl(cyclopentyl)amino]ethyl}-N'-(3,5-dimethylphenyl)thiourea
  • SMR000311723

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase 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 dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium ulcerans 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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 granulosus neutral alpha glucosidase AB 0.0044 0.0776 0.0776
Brugia malayi nuclear receptor RXR 0.0006 0.0014 0.0025
Brugia malayi nuclear receptor NHR-88 0.0012 0.0132 0.023
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0776 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0059 0.0059
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0132 0.0132
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0132 0.0132
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1384 0.1384
Brugia malayi hypothetical protein 0.0286 0.5732 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0083 0.0145
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0132 0.0132
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0132 0.023
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.3912 0.3912
Loa Loa (eye worm) hypothetical protein 0.0006 0.0014 0.0025
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0083 0.0083
Brugia malayi MH1 domain containing protein 0.001 0.0083 0.0145
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0776 0.1355
Schistosoma mansoni smad1 5 8 and 0.001 0.0083 0.0083
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0215 0.2347
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0776 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0083 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0132 0.023
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0132 0.0132
Schistosoma mansoni alpha-glucosidase 0.0169 0.3351 0.3351
Echinococcus multilocularis Smad4 0.001 0.0083 0.0083
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0776 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0083 0.0083
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0215 0.2347
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0592 0.1034
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0132 0.0132
Brugia malayi hypothetical protein 0.0006 0.0014 0.0025
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1384 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0132 0.023
Echinococcus multilocularis cpg binding protein 0.0037 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0006 0.0014 0.0025
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0215 0.2347
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0776 0.4801
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0776 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0132 0.0132
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0132 0.023
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0215 0.2347
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0132 0.023
Echinococcus multilocularis smad 0.001 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0058 0.1075 0.1075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0132 0.023
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2835 0.4947
Trypanosoma brucei glucosidase, putative 0.0044 0.0776 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0132 0.0597
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0083 0.0145
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0132 0.0132
Brugia malayi Smad1 0.001 0.0083 0.0145
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.3912 0.6826
Brugia malayi ecdysteroid receptor 0.0012 0.0132 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0014 0.0025
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0776 1
Brugia malayi MH1 domain containing protein 0.001 0.0083 0.0145
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0132 0.0132
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0776 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0132 0.023
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0132 0.0132
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0776 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0132 0.0132
Brugia malayi steroid hormone receptor 0.0012 0.0132 0.023
Onchocerca volvulus 0.0012 0.0132 0.0597
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0132 0.0597
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1389 0.1389
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0102 0.0102
Brugia malayi MH2 domain containing protein 0.001 0.0083 0.0145
Schistosoma mansoni alpha glucosidase 0.0044 0.0776 0.0776
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0132 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1384 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0132 0.023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0132 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0132 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0014 0.0025
Schistosoma mansoni cpg binding protein 0.0037 0.0633 0.0633
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1384 0.1384
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0132 0.0132
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0215 0.0375
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1075 0.1876
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1228 0.7431
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0132 0.023
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0132 0.0132
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0776 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0132 0.0132
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.3912 0.6826
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0132 0.023
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0776 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0132 0.023
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0132 0.023
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0132 0.0597
Schistosoma mansoni Smad4 0.001 0.0083 0.0083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1384 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0132 0.023
Schistosoma mansoni cpg binding protein 0.0035 0.0592 0.0592
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0132 0.0132
Echinococcus granulosus smad 0.001 0.0083 0.0083
Schistosoma mansoni alpha-glucosidase 0.0169 0.3351 0.3351
Loa Loa (eye worm) hypothetical protein 0.0016 0.0215 0.0375
Loa Loa (eye worm) hypothetical protein 0.0006 0.0014 0.0025
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1384 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0776 0.1355
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0132 0.023
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0215 0.0972
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0776 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0215 0.2347
Loa Loa (eye worm) Smad1 0.001 0.0083 0.0145
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0132 0.0132
Schistosoma mansoni cpg binding protein 0.0037 0.0633 0.0633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0132 0.023
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2835 0.4947
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0132 0.023
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0132 0.0132
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0776 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0014 0.0025
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3912 0.3912
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0059 0.0059
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0132 0.0132
Schistosoma mansoni survival motor neuron protein 0.0058 0.1075 0.1075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Schistosoma mansoni smad 0.001 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0006 0.0014 0.0025
Echinococcus granulosus Smad4 0.001 0.0083 0.0083
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0014 0.0025
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0215 0.2347
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0776 0.0776
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0132 0.023
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0083 0.0083
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0132 0.0132
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0132 0.0132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Echinococcus granulosus cpg binding protein 0.0037 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0286 0.5732 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0132 0.0132
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0014 0.0014
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5732 0.5732
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0102 0.0178
Brugia malayi CXXC zinc finger family protein 0.0035 0.0592 0.1034
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0132 0.023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1384 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0132 0.0132
Onchocerca volvulus 0.0114 0.2213 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3912 0.3912
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0132 0.023
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0776 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0132 0.023
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0215 0.2347
Schistosoma mansoni smad1 5 8 and 0.001 0.0083 0.0083
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0132 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0132 0.023
Brugia malayi MH2 domain containing protein 0.0144 0.2835 0.4947
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0014 0.0014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0083 0.0083
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0776 1
Onchocerca volvulus 0.0058 0.1075 0.4858
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1384 1
Onchocerca volvulus 0.0035 0.0592 0.2677
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Brugia malayi MH2 domain containing protein 0.001 0.0083 0.0145
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0132 0.0132
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0102 0.0102
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1384 0.1384
Schistosoma mansoni coup transcription factor 0.0012 0.0132 0.0132
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0083 0.0083
Brugia malayi hypothetical protein 0.0006 0.0014 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0132 0.023
Brugia malayi nuclear hormone receptor 0.0012 0.0132 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0132 0.023
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5732 0.5732
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0215 0.2347
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0014 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1384 0.1384
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0132 0.023
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0099 0.0173

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 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) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 8.9125 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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) 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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