Detailed information for compound 709113

Basic information

Technical information
  • TDR Targets ID: 709113
  • Name: 3-(2-ethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl ]thiourea
  • MW: 318.409 | Formula: C17H19FN2OS
  • H donors: 1 H acceptors: 0 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1N=C(NCCc1ccc(cc1)F)S
  • InChi: 1S/C17H19FN2OS/c1-2-21-16-6-4-3-5-15(16)20-17(22)19-12-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,22)
  • InChiKey: WDKPUYVTPLXTGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000294449
  • ZINC00611502
  • IVK/1638164
  • MLS000671938
  • N-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)ethyl]thiourea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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 pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1054 0.1054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1054 0.1303
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1054 0.1303
Brugia malayi CXXC zinc finger family protein 0.0035 0.4331 0.5846
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1054 0.1054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0531 0.0531
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1054 0.1054
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8854 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1054 0.1303
Schistosoma mansoni pyruvate kinase 0.004 0.5148 0.5148
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.5148 0.6978
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.014
Loa Loa (eye worm) pyruvate kinase 0.004 0.5148 0.6978
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.1052 0.13
Trypanosoma brucei pyruvate kinase 1 0.004 0.5148 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1054 0.1054
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1054 0.1303
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5148 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1054 0.1054
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1054 0.1303
Schistosoma mansoni nuclear receptor 0.0006 0.0114 0.0114
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0839 0.1005
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0839 0.1005
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0839 0.1005
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1054 0.1303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1054 0.1303
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1054 0.1303
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5148 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.1054 0.1303
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1054 0.1054
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.5148 0.5
Plasmodium falciparum pyruvate kinase 0.004 0.5148 1
Giardia lamblia Pyruvate kinase 0.004 0.5148 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0215 0.014
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1054 0.1303
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1054 0.1303
Echinococcus multilocularis pyruvate kinase 0.0021 0.2289 0.3015
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1054 0.1303
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7328 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1054 0.1303
Brugia malayi nuclear receptor RXR 0.0006 0.0215 0.014
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1054 0.1054
Mycobacterium ulcerans pyruvate kinase 0.004 0.5148 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7328 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5148 1
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0114 0.0114
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1054 0.1303
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.5148 0.5
Echinococcus granulosus pyruvate kinase 0.004 0.5148 0.6978
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1054 0.1303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1054 0.1303
Brugia malayi steroid hormone receptor 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1054 0.1303
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1054 0.1303
Echinococcus multilocularis pyruvate kinase 0.0021 0.2289 0.3015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1054 0.1303
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1054 0.1303
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1054 0.1054
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0215 0.0215
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5148 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1054 0.1303
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1054 0.1867
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.014
Brugia malayi hypothetical protein 0.0006 0.0215 0.014
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0215 0.0215
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5148 1
Leishmania major pyruvate kinase 0.004 0.5148 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0215 0.014
Echinococcus granulosus pyruvate kinase 0.004 0.5148 0.6978
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5148 0.5
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.5148 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1054 0.1867
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.014
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1054 0.1303
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.5148 0.6978
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0028 0.3371 0.4514
Schistosoma mansoni pyruvate kinase 0.0021 0.2289 0.2289
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1054 0.1303
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7328 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0531 0.0578
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1054 0.1303
Echinococcus multilocularis pyruvate kinase 0.004 0.5148 0.6978
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0531 0.0578
Plasmodium vivax pyruvate kinase, putative 0.004 0.5148 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1054 0.1303
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1054 0.1303
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0114 0.0114
Echinococcus multilocularis pyruvate kinase 0.0021 0.2289 0.3015
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.3371 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1054 0.1303
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1054 0.1303
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1054 0.1303
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0531 0.0578
Brugia malayi pyruvate kinase, muscle isozyme 0.0008 0.0512 0.0552
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1054 0.1303
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.014
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0215 0.014
Schistosoma mansoni coup transcription factor 0.0012 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.014
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5148 1
Brugia malayi ecdysteroid receptor 0.0012 0.1054 0.1303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7328 0.7328
Echinococcus multilocularis pyruvate kinase 0.0032 0.3911 0.5263
Brugia malayi pyruvate kinase 0.0008 0.0512 0.0552
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Echinococcus multilocularis cpg binding protein 0.0037 0.4619 0.6245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1054 0.1303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1054 0.1303
Echinococcus granulosus cpg binding protein 0.0037 0.4619 0.6245
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1054 0.1303
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1054 0.1303
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7328 1
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7328 0.7328
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1054 0.1054
Schistosoma mansoni pyruvate kinase 0.004 0.5148 0.5148
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1054 0.1054
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1054 0.1303
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0114 0.0114
Loa Loa (eye worm) pyruvate kinase 0.004 0.5148 0.6978
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0819 0.0977
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1054 0.1303
Echinococcus multilocularis pyruvate kinase 0.004 0.5148 0.6978
Echinococcus granulosus pyruvate kinase 0.0021 0.2289 0.3015
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.7328 1
Brugia malayi hypothetical protein 0.0006 0.0215 0.014
Loa Loa (eye worm) pyruvate kinase 0.004 0.5148 0.6978
Leishmania major pyruvate kinase 0.004 0.5148 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0215 0.014
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.3371 0.4514
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Schistosoma mansoni cpg binding protein 0.0035 0.4331 0.4331
Loa Loa (eye worm) pyruvate kinase 0.0008 0.0512 0.0552
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4331 0.5846
Schistosoma mansoni zinc finger protein 0.0006 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1303
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0531 0.0578
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.5148 0.4354
Brugia malayi nuclear receptor NHR-88 0.0012 0.1054 0.1303
Schistosoma mansoni nuclear receptor 0.0006 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.004 0.5148 0.6978
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1054 0.1303
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1054 0.1867
Echinococcus granulosus pyruvate kinase 0.0021 0.2289 0.3015
Chlamydia trachomatis pyruvate kinase 0.004 0.5148 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7328 0.7328
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.7328 1
Echinococcus granulosus pyruvate kinase 0.0021 0.2289 0.3015
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0215 0.014
Onchocerca volvulus 0.0035 0.4331 0.8377
Onchocerca volvulus 0.0012 0.1054 0.1867
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0114 0.0114

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 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 (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 5.2213 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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) 10 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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