Detailed information for compound 1009086

Basic information

Technical information
  • TDR Targets ID: 1009086
  • Name: 2-[2-methyl-4-[2-[[4-(trifluoromethyl)phenyl] sulfanylmethyl]prop-2-enylsulfanyl]phenoxy]ac etic acid
  • MW: 428.488 | Formula: C20H19F3O3S2
  • H donors: 1 H acceptors: 2 LogP: 6.16 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C(CSc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O
  • InChi: 1S/C20H19F3O3S2/c1-13(11-27-16-5-3-15(4-6-16)20(21,22)23)12-28-17-7-8-18(14(2)9-17)26-10-19(24)25/h3-9H,1,10-12H2,2H3,(H,24,25)
  • InChiKey: AAAUCJJEASDVLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-methyl-4-[2-[[[4-(trifluoromethyl)phenyl]thio]methyl]prop-2-enylthio]phenoxy]acetic acid
  • 2-[2-methyl-4-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]prop-2-enylsulfanyl]phenoxy]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.0431 0.1131
Schistosoma mansoni ap endonuclease 0.0018 0.0331 0.0309
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0023 0.0431 0.017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0688 0.1092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0688 0.1092
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Brugia malayi nuclear hormone receptor 0.0016 0.0274 0.0427
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0688 0.0667
Echinococcus granulosus cpg binding protein 0.0029 0.0592 0.1464
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0688 0.9194
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0274 0.0427
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0274 0.0647
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0274 0.0647
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.0431 0.2444
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0741 0.1115
Mycobacterium ulcerans lipase LipD 0.0035 0.0725 0.0667
Brugia malayi hypothetical protein 0.0018 0.0319 0.0498
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0654 0.0701
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0067 0.0112
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0688 0.0667
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0741 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0688 0.1092
Loa Loa (eye worm) Smad1 0.0008 0.0093 0.0135
Schistosoma mansoni smad1 5 8 and 0.0008 0.0093 0.007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1285 0.1265
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0725 0.0703
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0688 0.1092
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.3205 0.5136
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0023 0.0431 0.017
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0688 0.1711
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0725 0.0818
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0319 0.0297
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0725 0.8278
Onchocerca volvulus 0.0034 0.0688 0.9194
Brugia malayi conserved hypotetical protein 0.0016 0.0274 0.0427
Mycobacterium tuberculosis Conserved protein 0.0035 0.0725 0.0818
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0688 0.1092
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0688 0.1711
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0725 0.9591
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0725 0.9591
Brugia malayi MH1 domain containing protein 0.0008 0.0093 0.0135
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0725 0.1088
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0023 0.0431 0.0209
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Schistosoma mansoni inositol monophosphatase 0.0036 0.0741 0.072
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0725 0.1088
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0319 0.0498
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0274 0.0252
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0159 0.3607 0.5753
Brugia malayi Bromodomain containing protein 0.0005 0.0023 0.0022
Brugia malayi nuclear receptor NHR-88 0.0016 0.0274 0.0427
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0794 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0274 0.0647
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.0274 0.0427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0688 0.1092
Brugia malayi Smad1 0.0008 0.0093 0.0135
Onchocerca volvulus 0.0035 0.0725 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0741 0.1847
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0725 0.1088
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0688 0.9194
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0875 0.2192
Schistosoma mansoni smad 0.0008 0.0093 0.007
Schistosoma mansoni nuclear receptor 0.0016 0.0274 0.0252
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0741 0.1115
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0023 0.0431 0.0209
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0725 0.9591
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0431 0.017
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0688 0.9194
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Brugia malayi MH2 domain containing protein 0.0008 0.0093 0.0135
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Brugia malayi nuclear receptor RXR 0.0016 0.0274 0.0427
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0725 0.0818
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0274 0.0647
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0093 0.0135
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.0274 0.0427
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0688 0.1711
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0688 0.1092
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0331 0.0792
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0654 0.0671
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.0431 0.4926
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0093 0.0181
Schistosoma mansoni smad1 5 8 and 0.0008 0.0093 0.007
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0688 0.0667
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0688 0.1711
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0725 0.0924
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.0274 0.0252
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0741 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0794 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0688 0.1092
Schistosoma mansoni glutaminase 0.0271 0.6231 0.6222
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0274 0.0647
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0319 0.0498
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0741 0.4628
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0688 0.1711
Trichomonas vaginalis glutaminase, putative 0.0271 0.6231 1
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0688 0.0667
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0688 0.1711
Trichomonas vaginalis esterase, putative 0.0035 0.0725 0.1088
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0331 0.0517
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0023 0.0431 0.0679
Schistosoma mansoni smad1 5 8 and 0.0008 0.0093 0.007
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0688 0.1092
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0688 0.1092
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0688 0.1711
Brugia malayi CXXC zinc finger family protein 0.0028 0.0555 0.0878
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0319 0.0498
Loa Loa (eye worm) beta-lactamase 0.0035 0.0725 0.115
Schistosoma mansoni cpg binding protein 0.0028 0.0555 0.0534
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0688 0.1092
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0741 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0741 0.0696
Brugia malayi MH2 domain containing protein 0.0008 0.0093 0.0135
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0741 0.1847
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0331 0.0792
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0104 0.0152
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0688 0.1092
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0725 0.0818
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0274 0.0252
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0067 0.0112
Mycobacterium ulcerans glutaminase 0.0271 0.6231 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0725 0.115
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Mycobacterium ulcerans beta-lactamase 0.0035 0.0725 0.0667
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0555 0.0878
Echinococcus granulosus smad 0.0008 0.0093 0.0181
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.0274 0.0427
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0794 1
Schistosoma mansoni zinc finger protein 0.0016 0.0274 0.0252
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0093 0.0181
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0688 0.0667
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0498
Echinococcus granulosus Smad4 0.0008 0.0093 0.0181
Brugia malayi ecdysone receptor 0.0016 0.0274 0.0427
Schistosoma mansoni coup transcription factor 0.0034 0.0688 0.0667
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0688 0.1092
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0067 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0688 0.1092
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0688 0.1092
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0688 0.0667
Mycobacterium ulcerans L-lysine aminotransferase 0.0023 0.0431 0.017
Brugia malayi steroid hormone receptor 0.0034 0.0688 0.1092
Echinococcus multilocularis geminin 0.0172 0.3913 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.0274 0.0427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0725 0.0818
Loa Loa (eye worm) DR-78 0.0016 0.0274 0.0427
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0688 0.1092
Echinococcus granulosus geminin 0.0172 0.3913 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0274 0.0647
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.0274 0.0252
Brugia malayi glutaminase DH11.1 0.0271 0.6231 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0319 0.0761
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0159 0.3607 0.6809
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0725 0.1804
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0688 0.1092
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.3205 0.818
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0688 0.1092
Schistosoma mansoni cpg binding protein 0.0029 0.0592 0.0571
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0741 0.1115
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0725 0.115
Plasmodium falciparum ornithine aminotransferase 0.0023 0.0431 0.2164
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0214
Brugia malayi MH2 domain containing protein 0.0118 0.2668 0.4273
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0725 0.1088
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0331 0.0451
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0274 0.0647
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0274 0.0647
Toxoplasma gondii ABC1 family protein 0.0035 0.0725 0.4438
Echinococcus multilocularis cpg binding protein 0.0029 0.0592 0.1464
Echinococcus granulosus ornithine aminotransferase 0.0023 0.0431 0.105
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0688 0.0667
Brugia malayi hypothetical protein 0.0018 0.0319 0.0498
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0741 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0331 0.0451
Schistosoma mansoni cpg binding protein 0.0029 0.0592 0.0571
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0725 0.0667
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0688 0.1092
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0274 0.0647
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0093 0.007
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0875 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0725 0.0818
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2668 0.4273
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0688 0.1711
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0331 0.378
Mycobacterium tuberculosis Probable aminotransferase 0.0159 0.3607 0.6809
Brugia malayi MH1 domain containing protein 0.0008 0.0093 0.0135
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0498
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0498
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0725 0.0818
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0498
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0688 0.0667
Brugia malayi hypothetical protein 0.0016 0.0274 0.0427
Brugia malayi nuclear hormone receptor 0.0034 0.0688 0.1092
Brugia malayi PHD-finger family protein 0.0005 0.0023 0.0022
Loa Loa (eye worm) acetyltransferase 0.0141 0.3205 0.5136
Brugia malayi tailless protein 0.0016 0.0274 0.0427
Leishmania major hypothetical protein, conserved 0.0035 0.0725 0.9591
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0067 0.0112
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0319 0.0761
Schistosoma mansoni Smad4 0.0008 0.0093 0.007
Echinococcus multilocularis Aminotransferase class III 0.0023 0.0431 0.105
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0688 0.1092
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0331 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0093 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0688 0.1092
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0688 0.1711
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0688 0.1092
Brugia malayi beta-lactamase 0.0035 0.0725 0.115
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0688 0.1711
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0159 0.3607 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0023 0.0431 0.0209
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0688 0.1711
Schistosoma mansoni ap endonuclease 0.0018 0.0331 0.0309
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0431 0.017
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0725 0.0667
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0688 0.1711
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0875 0.1332
Onchocerca volvulus 0.0035 0.0725 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0725 0.0667
Loa Loa (eye worm) hypothetical protein 0.0005 0.0023 0.0022
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0159 0.3607 0.5552
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.3112 0.7942
Schistosoma mansoni nuclear receptor 0.0016 0.0274 0.0252
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0319 0.0297
Brugia malayi hypothetical protein 0.0016 0.0274 0.0427
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0274 0.0427
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0875 0.1332
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0688 0.0667
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0331 0.0517
Loa Loa (eye worm) glutaminase 0.0271 0.6231 1
Echinococcus multilocularis Smad4 0.0008 0.0093 0.0181
Schistosoma mansoni inositol monophosphatase 0.0036 0.0741 0.072
Echinococcus multilocularis smad 0.0008 0.0093 0.0181
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0274 0.0647
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0725 0.0703
Schistosoma mansoni hypothetical protein 0.0172 0.3913 0.3899
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0016 0.0274 0.0647
Brugia malayi nuclear receptor NHR-88 0.0034 0.0688 0.1092
Loa Loa (eye worm) hypothetical protein 0.0005 0.0023 0.0022
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0688 0.1711
Mycobacterium ulcerans hypothetical protein 0.0159 0.3607 0.5552
Mycobacterium ulcerans acetylornithine aminotransferase 0.0023 0.0431 0.017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0688 0.1711
Brugia malayi beta-lactamase family protein 0.0035 0.0725 0.115
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0274 0.0647
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0688 0.0667
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0067 0.0112
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0214
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0688 0.1711
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0688 0.1711
Brugia malayi ecdysteroid receptor 0.0034 0.0688 0.1092
Mycobacterium leprae Probable lipase LipE 0.0035 0.0725 0.0924
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0725 0.0818
Loa Loa (eye worm) glutaminase 2 0.0271 0.6231 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0725 0.1088
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1218 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.0274 0.0427
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0688 0.1711
Echinococcus granulosus Aminotransferase class III 0.0023 0.0431 0.105
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0093 0.0181
Brugia malayi Inositol-1 0.0036 0.0741 0.1177
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0875 0.6137
Brugia malayi nuclear receptor NHR-67 0.0016 0.0274 0.0427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0725 0.115
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.5142 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0688 0.1711
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0431 0.105
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0274 0.0427
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0274 0.0427
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0023 0.0431 0.5
Onchocerca volvulus 0.0035 0.0725 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0688 0.1092
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0741 0.8856
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.0431 0.0409
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0725 0.0818
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0688 0.0667
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0741 1
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0431 0.105
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.3205 0.3189
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0688 0.1092
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0023 0.0431 0.0209
Loa Loa (eye worm) hypothetical protein 0.0034 0.0688 0.1092
Schistosoma mansoni hypothetical protein 0.0172 0.3913 0.3899
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0875 0.6137
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0093 0.0181
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0725 0.1804
Brugia malayi nuclear receptor RXR 0.0018 0.0319 0.0498
Onchocerca volvulus 0.0028 0.0555 0.624
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0106 0.0156
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0688 0.0667
Loa Loa (eye worm) hypothetical protein 0.0016 0.0274 0.0427
Brugia malayi beta-lactamase family protein 0.0035 0.0725 0.115
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2668 0.4273
Loa Loa (eye worm) inositol-1 0.0036 0.0741 0.1177
Mycobacterium tuberculosis Conserved protein 0.0035 0.0725 0.0818

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 54.3 nM Agonist activity at human PPARdelta ChEMBL. 19168353
EC50 (binding) > 1 uM Activity at PPARalpha ChEMBL. 19168353
EC50 (binding) > 1 uM Activity at PPARgamma ChEMBL. 19168353

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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