Detailed information for compound 609086

Basic information

Technical information
  • TDR Targets ID: 609086
  • Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[[2-(3-metho xyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulf onyl]ethanone
  • MW: 420.522 | Formula: C21H28N2O5S
  • H donors: 0 H acceptors: 4 LogP: 2.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1oc(c(n1)CS(=O)(=O)CC(=O)N1CC(C)CC(C1)C)C
  • InChi: 1S/C21H28N2O5S/c1-14-8-15(2)11-23(10-14)20(24)13-29(25,26)12-19-16(3)28-21(22-19)17-6-5-7-18(9-17)27-4/h5-7,9,14-15H,8,10-13H2,1-4H3
  • InChiKey: ZBSSDAJOHNYLAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,5-dimethyl-1-piperidyl)-2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]ethanone
  • 1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(3-methoxyphenyl)-5-methyl-4-oxazolyl]methylsulfonyl]ethanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00349599 0.5 0.5
Toxoplasma gondii ABC1 family protein 0.0081 0.0245 0.9993
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.0052
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.014 0.0485
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0245 0.0852
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0015 0.0052
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0007 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00349599 0.5 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0022 0.0003 0.002
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0081 0.0245 1
Schistosoma mansoni apoferritin-2 0.0027 0.0023 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00349599 0.5 0.5
Echinococcus granulosus microtubule associated protein 2 0.0724 0.2876 0.2876
Brugia malayi nuclear receptor NHR-67 0.0022 0.0003 0.002
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0003 0.001
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0081 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Onchocerca volvulus 0.0081 0.0245 0.1746
Onchocerca volvulus 0.008 0.024 0.1712
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00349599 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00349599 0.5 0.5
Onchocerca volvulus 0.0081 0.0245 0.1746
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0103 0.0732
Brugia malayi steroid hormone receptor 0.00349599 0.5 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0015 0.0107
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0081 0.0245 1
Brugia malayi intermediate filament protein 0.008 0.024 0.1714
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0003 0.0003
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.0245 0.0245
Brugia malayi ecdysteroid receptor 0.00349599 0.5 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0022 0.0003 0.001
Echinococcus multilocularis lamin dm0 0.008 0.024 0.024
Echinococcus granulosus expressed protein 0.0027 0.0023 0.0023
Brugia malayi conserved hypotetical protein 0.0022 0.0003 0.002
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0103 0.0103
Brugia malayi photoreceptor-specific nuclear receptor 0.00349599 0.5 0.5
Schistosoma mansoni inositol monophosphatase 0.0081 0.0245 0.0852
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0103 0.0103
Echinococcus multilocularis Smad4 0.0025 0.0015 0.0015
Mycobacterium ulcerans lipase LipD 0.0081 0.0245 0.9993
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00349599 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0103 0.0732
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0022 0.0003 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00349599 0.5 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0081 0.0245 1
Loa Loa (eye worm) DR-78 0.0022 0.0003 0.002
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0103 0.0103
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0103 0.0357
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Schistosoma mansoni steroid hormone receptor ad4bp 0.00349599 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0022 0.0003 0.002
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0448
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0103 0.0103
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0103 0.0357
Brugia malayi hypothetical protein 0.0276 0.1043 0.744
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0103 0.0732
Schistosoma mansoni intermediate filament proteins 0.008 0.024 0.0835
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0103 0.0103
Schistosoma mansoni zinc finger protein 0.0022 0.0003 0.001
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0103 0.0103
Entamoeba histolytica hypothetical protein 0.0029 0.0032 0.1316
Trichomonas vaginalis esterase, putative 0.0081 0.0245 0.9993
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0508
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0015 0.0107
Echinococcus granulosus nuclear receptor nhr 48 0.0022 0.0003 0.0003
Brugia malayi TAR-binding protein 0.0203 0.0743 0.5299
Loa Loa (eye worm) MH2 domain-containing protein 0.0364 0.1402 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Schistosoma mansoni coup transcription factor 0.00349599 0.5 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.0245 0.0245
Loa Loa (eye worm) transcription factor SMAD2 0.0364 0.1402 1
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0103 0.0357
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Schistosoma mansoni hypothetical protein 0.0036 0.0063 0.0218
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0081 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0103 0.0732
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0003 0.002
Brugia malayi MH2 domain containing protein 0.0025 0.0015 0.0107
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0245 0.9993
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0466
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0013 0.0096
Schistosoma mansoni survival motor neuron protein 0.0056 0.0144 0.0501
Mycobacterium leprae Probable lipase LipE 0.0081 0.0245 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0265
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0245 0.9993
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00349599 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00349599 0.5 0.5
Echinococcus granulosus tar DNA binding protein 0.0203 0.0743 0.0743
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0013 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0013 0.0096
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.0245 0.1178
Echinococcus multilocularis expressed protein 0.0027 0.0023 0.0023
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.0245 0.9993
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Onchocerca volvulus 0.0046 0.0103 0.0719
Schistosoma mansoni ferritin 0.0027 0.0023 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00349599 0.5 0.5
Schistosoma mansoni lamin 0.008 0.024 0.0835
Echinococcus granulosus inositol monophosphatase 1 0.0081 0.0245 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0103 0.0732
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0144 0.1027
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0046 0.0103 0.0732
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0203 0.0743 0.2583
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0103 0.0732
Onchocerca volvulus 0.00349599 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00349599 0.5 0.5
Schistosoma mansoni ferritin 0.0027 0.0023 0.0081
Echinococcus multilocularis ecdysone induced protein 78C 0.00349599 0.5 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0015 0.0015
Loa Loa (eye worm) RNA binding protein 0.0203 0.0743 0.5299
Brugia malayi nuclear hormone receptor family member nhr-6 0.0022 0.0003 0.002
Brugia malayi hypothetical protein 0.0022 0.0003 0.002
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00349599 0.5 0.5
Echinococcus granulosus smad 0.0025 0.0015 0.0015
Echinococcus multilocularis thyroid hormone receptor alpha 0.00349599 0.5 0.5
Echinococcus multilocularis tumor protein p63 0.2467 1 1
Onchocerca volvulus 0.0056 0.0144 0.1018
Brugia malayi steroid hormone receptor 0.0046 0.0103 0.0732
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0032 0.023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00349599 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0103 0.0103
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0103 0.0357
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.0032 0.0112
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0023 0.0707
Echinococcus granulosus intermediate filament protein 0.008 0.024 0.024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0103 0.0357
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00349599 0.5 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0013 0.0047
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00349599 0.5 0.5
Loa Loa (eye worm) TAR-binding protein 0.0203 0.0743 0.5299
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0103 0.0732
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0022 0.0003 0.001
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0022 0.0003 0.0003
Echinococcus multilocularis ferritin 0.0027 0.0023 0.0023
Schistosoma mansoni inositol monophosphatase 0.0081 0.0245 0.0852
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0103 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.014 0.0485
Loa Loa (eye worm) intermediate filament protein 0.008 0.024 0.1714
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00349599 0.5 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0032 0.1316
Brugia malayi MH1 domain containing protein 0.0025 0.0015 0.0107
Schistosoma mansoni lamin 0.008 0.024 0.0835
Loa Loa (eye worm) hypothetical protein 0.0078 0.0234 0.1671
Echinococcus multilocularis inositol monophosphatase 1 0.0081 0.0245 0.0245
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0245 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0103 0.0732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00349599 0.5 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.0245 0.1178
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0518 0.203 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0103 0.0732
Schistosoma mansoni coup transcription factor 0.0046 0.0103 0.0357
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0103 0.0357
Brugia malayi tailless protein 0.0022 0.0003 0.002
Echinococcus granulosus Smad4 0.0025 0.0015 0.0015
Schistosoma mansoni smad 0.0025 0.0015 0.0052
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.1043 0.1043
Schistosoma mansoni tar DNA-binding protein 0.0203 0.0743 0.2583
Schistosoma mansoni cellular tumor antigen P53 0.0361 0.139 0.4833
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0103 0.0732
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0103 0.0357
Brugia malayi beta-lactamase 0.0081 0.0245 0.1747
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0022 0.0003 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00349599 0.5 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.0743 0.5299
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0103 0.0103
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0 0.0007
Brugia malayi MH2 domain containing protein 0.0025 0.0015 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0132 0.0941
Schistosoma mansoni microtubule-associated protein tau 0.0724 0.2876 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0103 0.0103
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0103 0.0732
Onchocerca volvulus 0.0081 0.0245 0.1746
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0103 0.0719
Schistosoma mansoni ap endonuclease 0.0023 0.0007 0.0023
Mycobacterium ulcerans beta-lactamase 0.0081 0.0245 0.9993
Echinococcus multilocularis nuclear receptor nhr 48 0.0022 0.0003 0.0003
Brugia malayi ecdysone receptor 0.0022 0.0003 0.002
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0103 0.0732
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0103 0.0732
Toxoplasma gondii FATC domain-containing protein 0.0029 0.0032 0.1316
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0103 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0103 0.0732
Loa Loa (eye worm) hypothetical protein 0.0053 0.0132 0.0941
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.014 0.0485
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0013 0.0013
Schistosoma mansoni ferritin 0.0027 0.0023 0.0081
Schistosoma mansoni tar DNA-binding protein 0.0203 0.0743 0.2583
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.0245 0.1747
Echinococcus granulosus ecdysone induced protein 78C 0.00349599 0.5 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.0245 0.1178
Mycobacterium tuberculosis Conserved protein 0.0081 0.0245 0.1178
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00349599 0.5 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0132 0.0941
Schistosoma mansoni thyroid hormone receptor 0.00349599 0.5 0.5
Brugia malayi hypothetical protein 0.0024 0.0013 0.0096
Mycobacterium tuberculosis Conserved protein 0.0081 0.0245 0.1178
Loa Loa (eye worm) Smad1 0.0025 0.0015 0.0107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00349599 0.5 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.008 0.024 0.1714
Brugia malayi nuclear hormone receptor 0.00349599 0.5 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0022 0.0003 0.002
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0103 0.0103
Brugia malayi nuclear receptor NHR-88 0.0046 0.0103 0.0732
Schistosoma mansoni thyroid hormone receptor 0.00349599 0.5 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0032 0.1316
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0027 0.0023 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0103 0.0732
Brugia malayi nuclear receptor NHR-88 0.0022 0.0003 0.002
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0016 0.0638
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0043 0.0089 0.0632
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Brugia malayi MH1 domain containing protein 0.0025 0.0015 0.0107
Mycobacterium ulcerans hypothetical protein 0.0081 0.0245 0.9993
Loa Loa (eye worm) hypothetical protein 0.0024 0.0013 0.0096
Brugia malayi MH2 domain containing protein 0.0364 0.1402 1
Onchocerca volvulus 0.0361 0.139 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0245 0.9993
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Brugia malayi nuclear receptor RXR 0.0022 0.0003 0.002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00349599 0.5 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0245 0.9993
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0245 0.9993
Onchocerca volvulus Bile acid receptor homolog 0.00349599 0.5 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0007 0.0023
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0007 0.0265
Echinococcus multilocularis musashi 0.008 0.024 0.024
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0245 0.9993
Trichomonas vaginalis inositol monophosphatase, putative 0.0081 0.0245 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0103 0.0732
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0245 0.9993
Echinococcus granulosus serine protein kinase ATM 0.0029 0.0032 0.0032
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.0245 0.1178
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.014 0.014
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0081 0.0245 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0007 0.0046
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0073 0.021 0.1007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0015 0.0015
Brugia malayi Nuclear hormone receptor-like 1 0.00349599 0.5 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.008 0.024 0.1714
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0103 0.0357
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Onchocerca volvulus 0.008 0.024 0.1712
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0003 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.014 0.014
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0013 0.0096
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.0245 0.1178
Trichomonas vaginalis ferritin, putative 0.0027 0.0023 0.0953
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.0743 0.5299
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0007 0.0265
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00349599 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0103 0.0732
Brugia malayi cytoplasmic intermediate filament protein 0.0043 0.0089 0.0632
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0103 0.0357
Loa Loa (eye worm) nuclear hormone receptor 0.0022 0.0003 0.002
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0081 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0081 0.0245 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0039 0.0071 0.0071
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.0245 0.1178
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00349599 0.5 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.318 0.318
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0007 0.0007
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0022 0.0003 0.0003
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0007 0.0007
Schistosoma mansoni apoferritin-2 0.0027 0.0023 0.0081
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Mycobacterium ulcerans bacterioferritin BfrB 0.0027 0.0023 0.0707
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0081 0.0245 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.0052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0245 0.0852
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0103 0.0732
Loa Loa (eye worm) hypothetical protein 0.0276 0.1043 0.744
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0003 0.0003
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0103 0.0357
Echinococcus multilocularis lamin 0.008 0.024 0.024
Echinococcus multilocularis tar DNA binding protein 0.0203 0.0743 0.0743
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.0032 0.0032
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.014 0.0995
Schistosoma mansoni ferritin light chain 0.0027 0.0023 0.0081
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0063 0.0448
Echinococcus granulosus thyroid hormone receptor alpha 0.0022 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0103 0.0732
Schistosoma mansoni RAR-like nuclear receptor 0.00349599 0.5 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0022 0.0003 0.002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0112
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Schistosoma mansoni tar DNA-binding protein 0.0203 0.0743 0.2583
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0003 0.001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0013 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00349599 0.5 0.5
Brugia malayi hypothetical protein 0.0024 0.0013 0.0096
Loa Loa (eye worm) nuclear receptor NHR-67 0.0022 0.0003 0.002
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0245 0.9993
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0466
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0103 0.0103
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0022 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0732
Brugia malayi nuclear receptor NHR-88 0.00349599 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0056 0.0144 0.0501
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0103 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0103 0.0732
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0265
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00349599 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Brugia malayi Smad1 0.0025 0.0015 0.0107
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.0052
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0007 1
Echinococcus granulosus ferritin 0.0027 0.0023 0.0023
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.0032 0.1316
Loa Loa (eye worm) hypothetical protein 0.008 0.024 0.1714
Loa Loa (eye worm) steroid hormone receptor 0.00349599 0.5 0.5
Treponema pallidum bacterioferrin (TpF1) 0.0027 0.0023 1
Mycobacterium tuberculosis Conserved protein 0.0081 0.0245 0.1178
Brugia malayi beta-lactamase family protein 0.0081 0.0245 0.1747
Loa Loa (eye worm) hypothetical protein 0.0024 0.0013 0.0096
Mycobacterium leprae conserved hypothetical protein 0.0081 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.00349599 0.5 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0007 0.0046
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0013 0.0096
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0027 0.0023 0.0083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.014 0.0995
Schistosoma mansoni nuclear receptor 0.0022 0.0003 0.001
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0073 0.021 0.844
Schistosoma mansoni Smad4 0.0025 0.0015 0.0052
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.014 0.014
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0081 0.0245 1
Onchocerca volvulus Protein ultraspiracle homolog 0.00349599 0.5 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0015 0.0015
Schistosoma mansoni nuclear hormone receptor 0.00349599 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0103 0.0732
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0103 0.0357
Brugia malayi Inositol-1 0.0081 0.0245 0.1749
Brugia malayi Steroid receptor seven-up type 2 0.00349599 0.5 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0015 0.0015
Loa Loa (eye worm) inositol-1 0.0081 0.0245 0.1749
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0103 0.0732
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0103 0.0357
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0007 0.0265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00349599 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00349599 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0103 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00349599 0.5 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00349599 0.5 0.5
Brugia malayi beta-lactamase family protein 0.0081 0.0245 0.1747
Toxoplasma gondii exonuclease III APE 0.0023 0.0007 0.0265
Loa Loa (eye worm) hypothetical protein 0.0022 0.0003 0.002
Leishmania major hypothetical protein, conserved 0.0081 0.0245 0.9993
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00349599 0.5 0.5
Schistosoma mansoni ferritin light chain 0.0027 0.0023 0.0081
Brugia malayi nuclear receptor RXR 0.0024 0.0013 0.0096
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0103 0.0103
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0007 0.5
Echinococcus multilocularis FTZ F1 alpha 0.00349599 0.5 0.5
Echinococcus granulosus lamin dm0 0.008 0.024 0.024
Echinococcus multilocularis smad 0.0025 0.0015 0.0015
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0103 0.0732
Schistosoma mansoni tar DNA-binding protein 0.0203 0.0743 0.2583
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.0245 0.1178
Echinococcus multilocularis thyroid hormone receptor alpha 0.0046 0.0103 0.0103
Mycobacterium ulcerans bacterioferritin BfrA 0.0027 0.0023 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00349599 0.5 0.5
Echinococcus granulosus lamin 0.008 0.024 0.024
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0007 0.0265
Loa Loa (eye worm) hypothetical protein 0.0081 0.0245 0.1747
Schistosoma mansoni nuclear receptor 0.0022 0.0003 0.001
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.1043 0.1043
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0103 0.0732
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00349599 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.00349599 0.5 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.0245 0.1747
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0003 0.0003
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0103 0.0719
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0132 0.0941
Loa Loa (eye worm) beta-lactamase 0.0081 0.0245 0.1747
Echinococcus granulosus FTZ F1 alpha 0.00349599 0.5 0.5
Brugia malayi hypothetical protein 0.0022 0.0003 0.002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00349599 0.5 0.5
Schistosoma mansoni ferritin 0.0027 0.0023 0.0081
Loa Loa (eye worm) hypothetical protein 0.0024 0.0013 0.0096
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0039 0.0071 0.0071
Echinococcus multilocularis microtubule associated protein 2 0.0724 0.2876 0.2876
Brugia malayi RNA binding protein 0.0203 0.0743 0.5299
Loa Loa (eye worm) hypothetical protein 0.0361 0.139 0.9916
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0103 0.0103
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.0245 0.9993
Brugia malayi ecdysteroid receptor 0.0046 0.0103 0.0732

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.1355 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.1355 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) > 1.25 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) > 1.25 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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