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

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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