Detailed information for compound 1457678

Basic information

Technical information
  • TDR Targets ID: 1457678
  • Name: 2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4 -triazol-3-yl]sulfanyl]-1-piperidin-1-ylethan one
  • MW: 374.5 | Formula: C19H26N4O2S
  • H donors: 0 H acceptors: 3 LogP: 2.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)N2CCCCC2)nnc1COc1ccccc1C
  • InChi: 1S/C19H26N4O2S/c1-3-23-17(13-25-16-10-6-5-9-15(16)2)20-21-19(23)26-14-18(24)22-11-7-4-8-12-22/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
  • InChiKey: RPTCMSMAQRLWHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone
  • 2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidyl)ethanone
  • 2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone
  • 2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone
  • ASN 03204455
  • Oprea1_506817
  • ZINC00915981
  • 2-(4-Ethyl-5-o-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-piperidin-1-yl-ethanone
  • MLS000030995
  • SMR000002121

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1834 0.1834
Schistosoma mansoni lamin 0.0033 0.012 0.0251
Schistosoma mansoni alpha-glucosidase 0.0169 0.1548 0.3222
Brugia malayi Steroid receptor seven-up type 2 0.011 0.0925 0.1298
Echinococcus multilocularis musashi 0.0033 0.012 0.012
Brugia malayi Nuclear hormone receptor E75 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0236 0.0006
Schistosoma mansoni nuclear hormone receptor 0.0052 0.032 0.0667
Echinococcus granulosus tar DNA binding protein 0.0323 0.3147 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.011 0.0925 0.294
Schistosoma mansoni nuclear receptor nhr-48 0.0052 0.032 0.0667
Loa Loa (eye worm) RNA binding protein 0.0323 0.3147 0.4414
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0236 0.8335
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0052 0.032 0.0667
Loa Loa (eye worm) hypothetical protein 0.0028 0.0072 0.01
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0234 0.825
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.032 0.1018
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.3205 1
Toxoplasma gondii isocitrate dehydrogenase 0.0047 0.0273 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0236 0.0006
Onchocerca volvulus 0.0052 0.032 0.0669
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.011 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0704 0.713 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0047 0.0273 0.0867
Brugia malayi Nuclear hormone receptor family member nhr-14 0.011 0.0925 0.1298
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0236 0.0006
Brugia malayi intermediate filament protein 0.0033 0.012 0.0169
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.011 0.0925 0.1298
Echinococcus granulosus twitchin 0.0026 0.0056 0.0178
Brugia malayi photoreceptor-specific nuclear receptor 0.011 0.0925 0.1298
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Loa Loa (eye worm) DR-78 0.0052 0.032 0.0449
Brugia malayi isocitrate dehydrogenase 0.0047 0.0273 0.0383
Loa Loa (eye worm) hypothetical protein 0.0033 0.0128 0.0179
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.3205 1
Loa Loa (eye worm) nuclear hormone receptor 0.0052 0.032 0.0449
Loa Loa (eye worm) steroid hormone receptor 0.011 0.0925 0.1298
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Schistosoma mansoni steroid hormone receptor ad4bp 0.011 0.0925 0.1926
Schistosoma mansoni tar DNA-binding protein 0.0323 0.3147 0.655
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0236 0.0006
Loa Loa (eye worm) hypothetical protein 0.0058 0.0385 0.054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0357 0.0501
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Schistosoma mansoni Tr4/Tr2 (homologue) 0.011 0.0925 0.1926
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Onchocerca volvulus 0.011 0.0925 0.269
Brugia malayi Nuclear hormone receptor family member nhr-19 0.011 0.0925 0.1298
Brugia malayi nuclear receptor NHR-67 0.0052 0.032 0.0449
Brugia malayi latrophilin 2 splice variant baaae 0.0481 0.4805 0.6739
Schistosoma mansoni alpha-glucosidase 0.0169 0.1548 0.3222
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.032 0.032
Brugia malayi nuclear receptor NHR-88 0.0052 0.032 0.0449
Echinococcus multilocularis GPCR, family 2 0.0223 0.2106 0.2106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Brugia malayi hypothetical protein 0.0026 0.0053 0.0074
Schistosoma mansoni nephrin 0.0026 0.0056 0.0117
Brugia malayi ecdysone receptor 0.0052 0.032 0.0449
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.1454 1
Schistosoma mansoni zinc finger protein 0.0052 0.032 0.0667
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0357 0.0357
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Brugia malayi RNA recognition motif domain containing protein 0.0323 0.3147 0.4414
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0058 0.0385 0.1224
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0047 0.0273 0.0273
Schistosoma mansoni tar DNA-binding protein 0.0323 0.3147 0.655
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Schistosoma mansoni hypothetical protein 0.019 0.1766 0.3676
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0704 0.713 1
Brugia malayi nuclear hormone receptor 0.011 0.0925 0.1298
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Schistosoma mansoni retinoic acid receptor RXR 0.011 0.0925 0.1926
Loa Loa (eye worm) nuclear receptor NHR-67 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Echinococcus multilocularis tar DNA binding protein 0.0323 0.3147 0.3147
Echinococcus multilocularis lamin 0.0033 0.012 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.011 0.0925 0.1298
Brugia malayi Nuclear hormone receptor family member nhr-49 0.011 0.0925 0.1298
Brugia malayi Nuclear hormone receptor family member nhr-19 0.011 0.0925 0.1298
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0234 0.0745
Brugia malayi MH2 domain containing protein 0.0124 0.107 0.1501
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0234 0.0234
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0223 0.2106 0.2106
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.107 0.1501
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.107 0.1501
Brugia malayi beta-lactamase family protein 0.0043 0.0234 0.0329
Schistosoma mansoni retinoid-x-receptor (RXR) 0.011 0.0925 0.1926
Loa Loa (eye worm) TAR-binding protein 0.0323 0.3147 0.4414
Onchocerca volvulus Tyrosine kinase homolog 0.0319 0.3112 1
Toxoplasma gondii isocitrate dehydrogenase 0.0047 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Brugia malayi tailless protein 0.0052 0.032 0.0449
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0236 0.0236
Brugia malayi beta-lactamase family protein 0.0043 0.0234 0.0329
Loa Loa (eye worm) latrophilin receptor protein 2 0.0223 0.2106 0.2954
Brugia malayi TAR-binding protein 0.0323 0.3147 0.4414
Brugia malayi Nuclear hormone receptor family member nhr-41 0.011 0.0925 0.1298
Brugia malayi Calcitonin receptor-like protein seb-1 0.0704 0.713 1
Brugia malayi hypothetical protein 0.0052 0.032 0.0449
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0028 0.0072 0.0227
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.011 0.0925 0.294
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0047 0.0273 0.0157
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0236 0.0006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.011 0.0925 0.1926
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1834 0.2572
Loa Loa (eye worm) hypothetical protein 0.0276 0.2665 0.3738
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.011 0.0925 0.294
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0236 0.0331
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0236 0.0006
Brugia malayi hypothetical protein 0.0052 0.032 0.0449
Brugia malayi nuclear receptor RXR 0.0058 0.0385 0.054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.011 0.0925 0.0925
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.011 0.0925 0.0925
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.012 0.0169
Echinococcus multilocularis FTZ F1 alpha 0.011 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0323 0.3147 0.655
Schistosoma mansoni RAR-like nuclear receptor 0.011 0.0925 0.1926
Onchocerca volvulus 0.0312 0.3036 0.9746
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0236 0.0331
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1834 0.5827
Schistosoma mansoni nuclear receptor 0.0052 0.032 0.0667
Loa Loa (eye worm) beta-lactamase 0.0043 0.0234 0.0329
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0357 0.0501
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0236 0.075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.011 0.0925 0.1298
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.1209 0.1209
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0234 0.0488
Onchocerca volvulus Protein ultraspiracle homolog 0.011 0.0925 0.269
Brugia malayi Nuclear hormone receptor E75 0.0052 0.032 0.0449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0357 0.0743
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.011 0.0925 0.1926
Brugia malayi nuclear hormone receptor family member nhr-6 0.0052 0.032 0.0449
Giardia lamblia Fructose-bisphosphate aldolase 0.0328 0.3205 0.5
Schistosoma mansoni nuclear hormone receptor 0.011 0.0925 0.1926
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.011 0.0925 0.1298
Loa Loa (eye worm) isocitrate dehydrogenase 0.0047 0.0273 0.0383
Loa Loa (eye worm) hypothetical protein 0.0058 0.0385 0.054
Schistosoma mansoni hypothetical protein 0.0223 0.2106 0.4383
Brugia malayi beta-lactamase 0.0043 0.0234 0.0329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0357 0.0743
Schistosoma mansoni nuclear hormone receptor 0.0052 0.032 0.0667
Loa Loa (eye worm) hypothetical protein 0.0481 0.4805 0.6739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0234 0.825
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0223 0.2106 0.6692
Brugia malayi nuclear receptor RXR 0.0052 0.032 0.0449
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0342 0.3347 0.4694
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.1454 0.4986
Schistosoma mansoni hypothetical protein 0.0223 0.2106 0.4383
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0058 0.0385 0.054
Onchocerca volvulus 0.0114 0.0968 0.2834
Schistosoma mansoni alpha glucosidase 0.0044 0.0236 0.0492
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.011 0.0925 0.294
Schistosoma mansoni thyroid hormone receptor 0.0247 0.2353 0.4898
Trypanosoma brucei glucosidase, putative 0.0044 0.0236 0.8335
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.032 0.032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0223 0.2106 0.6692
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Leishmania major hypothetical protein, conserved 0.0043 0.0234 0.825
Schistosoma mansoni tar DNA-binding protein 0.0323 0.3147 0.655
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0357 0.0743
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.032 0.1018
Loa Loa (eye worm) hypothetical protein 0.0223 0.2106 0.2954
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0047 0.0273 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-3 0.011 0.0925 0.1298
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.0925 0.1298
Schistosoma mansoni nuclear receptor 0.0052 0.032 0.0667
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.011 0.0925 0.1926
Echinococcus granulosus ecdysone induced protein 78C 0.011 0.0925 0.294
Echinococcus multilocularis neuroglian 0.0026 0.0056 0.0056
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0047 0.0273 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.012 0.0169
Echinococcus multilocularis isocitrate dehydrogenase 0.0047 0.0273 0.0273
Schistosoma mansoni coup transcription factor 0.011 0.0925 0.1926
Echinococcus multilocularis roundabout 2 0.0033 0.0128 0.0128
Echinococcus granulosus FTZ F1 alpha 0.011 0.0925 0.294
Echinococcus granulosus geminin 0.019 0.1766 0.5612
Schistosoma mansoni cell adhesion molecule 0.0028 0.0072 0.0149
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0273 0.0273
Brugia malayi Nuclear hormone receptor-like 1 0.0317 0.309 0.4334
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.011 0.0925 0.1298
Echinococcus granulosus lamin dm0 0.0033 0.012 0.0383
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0047 0.0273 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0247 0.2353 0.2353
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Onchocerca volvulus 0.0043 0.0234 0.0381
Echinococcus granulosus neuroglian 0.0026 0.0056 0.0178
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0273 1
Brugia malayi orphan nuclear receptor NR2E1 0.0052 0.032 0.0449
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0317 0.309 0.4334
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0058 0.0385 0.0802
Schistosoma mansoni tar DNA-binding protein 0.0323 0.3147 0.655
Brugia malayi conserved hypotetical protein 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0357 0.1134
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0236 0.8335
Onchocerca volvulus 0.0043 0.0234 0.0381
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0236 0.8335
Echinococcus granulosus nuclear receptor 2DBD gamma 0.011 0.0925 0.294
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0236 0.8335
Schistosoma mansoni hypothetical protein 0.0223 0.2106 0.4383
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0052 0.032 0.032
Brugia malayi hypothetical protein 0.0058 0.0385 0.054
Echinococcus multilocularis lamin dm0 0.0033 0.012 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.011 0.0925 0.1298
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0047 0.0273 1
Brugia malayi RNA binding protein 0.0323 0.3147 0.4414
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Loa Loa (eye worm) intermediate filament protein 0.0033 0.012 0.0169
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0047 0.0273 1
Brugia malayi hypothetical protein 0.0058 0.0385 0.054
Schistosoma mansoni hypothetical protein 0.019 0.1766 0.3676
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0223 0.2106 0.2954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.011 0.0925 0.1298
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0234 0.0329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0357 0.1134
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.3026 0.4243
Brugia malayi Nuclear hormone receptor family member nhr-40 0.011 0.0925 0.1298
Brugia malayi nuclear receptor NHR-88 0.011 0.0925 0.1298
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0223 0.2106 0.2106
Onchocerca volvulus 0.0043 0.0234 0.0381
Echinococcus granulosus intermediate filament protein 0.0033 0.012 0.0383
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.032 0.1018
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2679 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0058 0.0385 0.0385
Schistosoma mansoni hypothetical protein 0.0481 0.4805 1
Treponema pallidum fructose-bisphosphate aldolase 0.0328 0.3205 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0052 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0043 0.0234 0.0329
Onchocerca volvulus 0.0052 0.032 0.0669
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.0925 0.1298
Loa Loa (eye worm) hypothetical protein 0.0032 0.0114 0.016
Loa Loa (eye worm) hypothetical protein 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0033 0.0128 0.0179
Brugia malayi nuclear hormone receptor family member odr-7 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.0369 0.363 0.5091
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.011 0.0925 0.269
Loa Loa (eye worm) hypothetical protein 0.0058 0.0385 0.054
Loa Loa (eye worm) hypothetical protein 0.0058 0.0385 0.054
Brugia malayi ecdysteroid receptor 0.0276 0.2665 0.3738
Brugia malayi Immunoglobulin I-set domain containing protein 0.0342 0.3347 0.4694
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0234 0.825
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0234 0.0488
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0236 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0273 0.0273
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.1454 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.011 0.0925 0.0925
Onchocerca volvulus Bile acid receptor homolog 0.0276 0.2665 0.8506
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1834 0.2572
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0273 1
Schistosoma mansoni hypothetical protein 0.0223 0.2106 0.4383
Brugia malayi nuclear hormone receptor 0.0052 0.032 0.0449
Echinococcus granulosus GPCR family 2 0.0223 0.2106 0.6692
Brugia malayi steroid hormone receptor 0.011 0.0925 0.1298
Toxoplasma gondii ABC1 family protein 0.0043 0.0234 0.825
Schistosoma mansoni hypothetical protein 0.0137 0.1209 0.2516
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0234 0.0329
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.011 0.0925 0.0925
Echinococcus multilocularis ecdysone induced protein 78C 0.011 0.0925 0.0925
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0236 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-1 0.011 0.0925 0.1298
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.011 0.0925 0.294
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0052 0.032 0.0449
Loa Loa (eye worm) hypothetical protein 0.011 0.0925 0.1298
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.011 0.0925 0.0925
Echinococcus granulosus thyroid hormone receptor alpha 0.0052 0.032 0.1018
Schistosoma mansoni intermediate filament proteins 0.0033 0.012 0.0251
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.1209 0.3841
Brugia malayi Isocitrate dehydrogenase 0.0047 0.0273 0.0383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1834 0.1834
Schistosoma mansoni thyroid hormone receptor 0.0247 0.2353 0.4898
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0052 0.032 0.032
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.011 0.0925 0.1926
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0052 0.032 0.0667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.011 0.0925 0.1298
Echinococcus granulosus nuclear receptor nhr 48 0.0052 0.032 0.1018
Brugia malayi Latrophilin receptor protein 2 0.0223 0.2106 0.2954
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.032 0.0669
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0704 0.713 1
Echinococcus granulosus lamin 0.0033 0.012 0.0383
Loa Loa (eye worm) hypothetical protein 0.0033 0.012 0.0169
Brugia malayi Nuclear hormone receptor-like 1 0.0317 0.309 0.4334
Echinococcus multilocularis geminin 0.019 0.1766 0.1766
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.011 0.0925 0.1298
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.032 0.0669
Schistosoma mansoni lamin 0.0033 0.012 0.0251
Echinococcus granulosus retinoic acid receptor rxr beta a 0.011 0.0925 0.294
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3205 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.011 0.0925 0.1298
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0052 0.032 0.1018
Echinococcus granulosus roundabout 2 0.0033 0.0128 0.0405
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0273 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.0385 0.0802
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0234 0.825
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0236 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0273 0.0273
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0323 0.3147 0.4414

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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