Detailed information for compound 1310030

Basic information

Technical information
  • TDR Targets ID: 1310030
  • Name: 3-[2-(4-chlorophenyl)sulfanylethyl]-1-(2,4-di methylphenyl)thiourea
  • MW: 350.929 | Formula: C17H19ClN2S2
  • H donors: 1 H acceptors: 0 LogP: 5.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=Nc1ccc(cc1C)C)NCCSc1ccc(cc1)Cl
  • InChi: 1S/C17H19ClN2S2/c1-12-3-8-16(13(2)11-12)20-17(21)19-9-10-22-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
  • InChiKey: ODTZZGNKAXMTLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[(4-chlorophenyl)thio]ethyl]-1-(2,4-dimethylphenyl)thiourea
  • ZINC02783398
  • MLS000677062
  • N-{2-[(4-chlorophenyl)thio]ethyl}-N'-(2,4-dimethylphenyl)thiourea
  • SMR000270889
  • STK143315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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
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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus 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 japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Retinal dehydrogenase 1, putative 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
Candida albicans Mitochondrial 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
Candida albicans 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 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
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
Schistosoma mansoni aldehyde dehydrogenase 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
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
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0192 0.037
Trichomonas vaginalis CMGC family protein kinase 0.005 0.03 0.1639
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.023
Schistosoma mansoni hypothetical protein 0.0058 0.0355 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.023
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0641 0.1237
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0044 0.0248
Onchocerca volvulus 0.0012 0.0044 0.0248
Brugia malayi steroid hormone receptor 0.0012 0.0044 0.023
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0041 0.0217
Onchocerca volvulus 0.0024 0.0122 0.0696
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0044 0.0084
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0192 0.037
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0042 0.0081
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0005 0.0009
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0122 0.0236
Echinococcus multilocularis microtubule associated protein 2 0.0771 0.5179 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.024 0.1265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0084
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.023
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0084
Brugia malayi MH2 domain containing protein 0.0009 0.0023 0.0119
Onchocerca volvulus 0.01 0.0641 0.3647
Loa Loa (eye worm) hypothetical protein 0.0286 0.1895 1
Schistosoma mansoni hypothetical protein 0.0019 0.009 0.0174
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.023
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.0119
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.0119
Brugia malayi ecdysteroid receptor 0.0012 0.0044 0.023
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.023
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0084
Schistosoma mansoni cpg binding protein 0.0037 0.0209 0.0404
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0084
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0005 0.0025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0084
Brugia malayi hypothetical protein 0.0006 0.0005 0.0025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0044 0.0084
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0044 0.0084
Echinococcus granulosus Smad4 0.0009 0.0023 0.0043
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0152 0.5
Onchocerca volvulus 0.0024 0.0122 0.0696
Brugia malayi hypothetical protein 0.0024 0.0122 0.0645
Brugia malayi nuclear receptor RXR 0.0006 0.0005 0.0025
Schistosoma mansoni polycystin 1-related 0.0024 0.0122 0.0236
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0023 0.0043
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.03 0.484
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0178 0.0345
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0458 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1182 0.6241
Schistosoma mansoni lipoxygenase 0.0024 0.0122 0.0236
Echinococcus granulosus cpg binding protein 0.0037 0.0209 0.0404
Schistosoma mansoni hypothetical protein 0.0024 0.0122 0.0236
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0355 0.1876
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0458 0.0883
Brugia malayi hypothetical protein 0.0286 0.1895 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.03 0.0579
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.03 0.1583
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0369 0.1946
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0025
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0122 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.023
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0196 0.1034
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0023 0.0043
Schistosoma mansoni Smad4 0.0009 0.0023 0.0043
Echinococcus multilocularis cpg binding protein 0.0037 0.0209 0.0404
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0458 0.0883
Schistosoma mansoni cpg binding protein 0.0037 0.0209 0.0404
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0084
Loa Loa (eye worm) hypothetical protein 0.0024 0.0122 0.0645
Onchocerca volvulus 0.0058 0.0355 0.2022
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0369 0.1946
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0044 0.023
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0641 0.1237
Echinococcus multilocularis GPCR, family 2 0.0019 0.009 0.0174
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0412 0.0796
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0003 0.0006
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0084
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0044 0.0084
Schistosoma mansoni cpg binding protein 0.0035 0.0196 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0005 0.0009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.023
Brugia malayi Smad1 0.0009 0.0023 0.0119
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.03 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Trichomonas vaginalis set domain proteins, putative 0.0265 0.1757 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0025
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0044 0.0084
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.024 0.1265
Schistosoma mansoni hypothetical protein 0.0019 0.009 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.03 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0864 0.4559
Brugia malayi MH2 domain containing protein 0.0133 0.0864 0.4559
Brugia malayi MH2 domain containing protein 0.0009 0.0023 0.0119
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.03 0.484
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0864 0.4559
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.009 0.0475
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.023
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0084
Echinococcus multilocularis muscleblind protein 1 0.018 0.1182 0.2283
Schistosoma mansoni rab6-interacting 0.0024 0.0122 0.0236
Echinococcus granulosus RUN 0.0024 0.0122 0.0236
Trichomonas vaginalis CMGC family protein kinase 0.005 0.03 0.1639
Onchocerca volvulus 0.0034 0.0192 0.1092
Loa Loa (eye worm) hypothetical protein 0.018 0.1182 0.6241
Trichomonas vaginalis CMGC family protein kinase 0.005 0.03 0.1639
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0025
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0458 1
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0005 0.0025
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.023
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1483 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0028 0.0053
Schistosoma mansoni microtubule-associated protein tau 0.0771 0.5179 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0028 0.0053
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.009 0.0174
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3306 0.6382
Echinococcus multilocularis RUN 0.0024 0.0122 0.0236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.023
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0122 0.0236
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.03 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0467 0.0902
Brugia malayi MAP kinase sur-1 0.005 0.03 0.1583
Schistosoma mansoni coup transcription factor 0.0012 0.0044 0.0084
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0458 0.0883
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1895 0.3658
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0641 0.3383
Brugia malayi Pre-SET motif family protein 0.0034 0.0192 0.1013
Loa Loa (eye worm) hypothetical protein 0.0024 0.0122 0.0645
Plasmodium vivax SET domain protein, putative 0.0034 0.0192 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.023
Schistosoma mansoni loxhd1 0.0024 0.0122 0.0236
Schistosoma mansoni serine/threonine protein kinase 0.005 0.03 0.0579
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0192 0.037
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.023
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0044 0.023
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0028 0.0053
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0192 0.037
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0028 0.0053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0192 0.037
Mycobacterium ulcerans transcriptional regulator 0.1483 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0084
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0641 0.1237
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.03 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0458 0.031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0369 0.1946
Echinococcus multilocularis smad 0.0009 0.0023 0.0043
Schistosoma mansoni hypothetical protein 0.0019 0.009 0.0174
Onchocerca volvulus 0.0265 0.1757 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0412 0.0796
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0005 0.0009
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0152 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.154 0.8128
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0122 0.0236
Brugia malayi hypothetical protein 0.0024 0.0122 0.0645
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.03 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0355 0.0686
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0044 0.0084
Trichomonas vaginalis CMGC family protein kinase 0.005 0.03 0.1639
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0044 0.0248
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0122 0.0645
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.009 0.0174
Entamoeba histolytica hypothetical protein 0.0028 0.0152 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0044 0.0084
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0044 0.0084
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.03 0.484
Mycobacterium ulcerans TetR family transcriptional regulator 0.1483 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0369 0.1946
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0005 0.0009
Trypanosoma brucei protein kinase, putative 0.005 0.03 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0043
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1895 0.3658
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0084
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0028 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.023
Echinococcus granulosus microtubule associated protein 2 0.0771 0.5179 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0023 0.0043
Loa Loa (eye worm) hypothetical protein 0.0034 0.0192 0.1013
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0044 0.0084
Schistosoma mansoni hypothetical protein 0.0041 0.024 0.0463
Brugia malayi CXXC zinc finger family protein 0.0035 0.0196 0.1034
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3306 0.6382
Brugia malayi Pre-SET motif family protein 0.0233 0.154 0.8128
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0192 0.037
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0192 0.1299
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0044 0.0248
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0044 0.0084
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.009 0.0174
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0458 0.0883
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0152 0.4306
Brugia malayi Muscleblind-like protein 0.018 0.1182 0.6241
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0084
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0043
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0042 0.0222
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0458 0.031
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0044 0.023
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0122 0.0236
Brugia malayi nuclear hormone receptor 0.0012 0.0044 0.023
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0023 0.0119
Brugia malayi nuclear receptor NHR-88 0.0012 0.0044 0.023
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0122 0.0236
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0044 0.0084
Echinococcus granulosus smad 0.0009 0.0023 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.023
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0044 0.0084
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0044 0.023
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0025
Giardia lamblia Kinase, CMGC MAPK 0.005 0.03 0.5
Echinococcus multilocularis muscleblind protein 0.018 0.1182 0.2283
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0044 0.023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0192 0.037
Echinococcus multilocularis Smad4 0.0009 0.0023 0.0043
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0044 0.0084
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0023 0.0119
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.03 0.0579
Loa Loa (eye worm) Smad1 0.0009 0.0023 0.0119
Brugia malayi Latrophilin receptor protein 2 0.0019 0.009 0.0475
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0458 0.031
Echinococcus granulosus mitogen activated protein kinase 0.005 0.03 0.0579
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0152 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0044 0.0084
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0042 0.0081
Schistosoma mansoni smad 0.0009 0.0023 0.0043
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.0475
Loa Loa (eye worm) hypothetical protein 0.01 0.0641 0.3383
Echinococcus granulosus GPCR family 2 0.0019 0.009 0.0174
Onchocerca volvulus 0.0035 0.0196 0.1114
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0044 0.0084
Schistosoma mansoni hypothetical protein 0.0494 0.3306 0.6382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0458 0.031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.023
Schistosoma mansoni lipoxygenase 0.0067 0.0412 0.0796
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.009 0.0475
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0044 0.0084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Schistosoma mansoni rab6-interacting 0.0024 0.0122 0.0236
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.03 0.0579
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1483 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0044 0.023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0414 0.8582
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0005 0.0025
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0023 0.0043
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.009 0.0174
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.023
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0023 0.0043
Schistosoma mansoni hypothetical protein 0.0019 0.009 0.0174
Brugia malayi hypothetical protein 0.0006 0.0005 0.0025
Echinococcus granulosus muscleblind protein 0.018 0.1182 0.2283
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0152 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0025
Brugia malayi Doublecortin family protein 0.0024 0.0122 0.0645

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 1.2589 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 23.1093 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) 29.0929 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 (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 the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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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