Detailed information for compound 1383719

Basic information

Technical information
  • TDR Targets ID: 1383719
  • Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxaz in-4-yl]-N-(2-phenylethyl)acetamide
  • MW: 471.569 | Formula: C24H29N3O5S
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)COc2c1cc(cc2)S(=O)(=O)N1CCCCCC1)NCCc1ccccc1
  • InChi: 1S/C24H29N3O5S/c28-23(25-13-12-19-8-4-3-5-9-19)17-27-21-16-20(10-11-22(21)32-18-24(27)29)33(30,31)26-14-6-1-2-7-15-26/h3-5,8-11,16H,1-2,6-7,12-15,17-18H2,(H,25,28)
  • InChiKey: GSDWILMKPUWRQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
  • 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
  • 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)ethanamide
  • E589-3781
  • NCGC00123218-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0013 0.0025 0.0139
Echinococcus granulosus tumor protein p63 0.0408 0.1687 0.1943
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0037 0.0037
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0016 0.0019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0124 0.0124
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0314 0.1289 0.1284
Brugia malayi hypothetical protein 0.0018 0.0044 0.0287
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0203 0.1318
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0016 0.0016
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0037 0.0037
Trichomonas vaginalis ferritin, putative 0.0009 0.0006 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0314 0.1289 0.1289
Schistosoma mansoni hypothetical protein 0.0012 0.0021 0.0021
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0124 0.0143
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0183 0.1366
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.0607
Echinococcus multilocularis neuropeptide s receptor 0.0983 0.4106 0.4106
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0016 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0016 0.0068
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0011 0.0011
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0016 0.0019
Schistosoma mansoni hypothetical protein 0.0184 0.0745 0.0745
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0011 0.0025
Echinococcus multilocularis musashi 0.0028 0.0085 0.0085
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0037 0.0036
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0314 0.1289 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0006 0.5
Echinococcus multilocularis Smad4 0.001 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0051 0.0183 0.0183
Echinococcus granulosus geminin 0.0184 0.0745 0.0858
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.1366
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0011 0.0011
Echinococcus granulosus cpg binding protein 0.0031 0.01 0.0115
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0016 0.0019
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0602
Brugia malayi intermediate filament protein 0.0028 0.0085 0.061
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0122
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0016 0.0072
Echinococcus multilocularis GPCR, family 2 0.0051 0.0183 0.0183
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0314 0.1289 0.1289
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0124 0.0124
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0016 0.0016
Echinococcus multilocularis geminin 0.0184 0.0745 0.0745
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0016 0.0068
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0025 0.0029
Brugia malayi ecdysteroid receptor 0.0011 0.0016 0.0072
Brugia malayi MH1 domain containing protein 0.001 0.0011 0.0028
Schistosoma mansoni hypothetical protein 0.0051 0.0183 0.0183
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0021 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0016 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0085 0.0379
Schistosoma mansoni hypothetical protein 0.0037 0.0124 0.0124
Entamoeba histolytica hypothetical protein 0.0037 0.0124 0.5
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0183 0.0183
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0576 0.4437
Echinococcus multilocularis protoporphyrinogen oxidase 0.2383 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2383 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0983 0.4106 0.473
Schistosoma mansoni ferritin light chain 0.0009 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0016 0.0068
Echinococcus multilocularis ferritin 0.0009 0.0006 0.0006
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0085 0.0607
Echinococcus multilocularis neuropeptide receptor A26 0.0983 0.4106 0.4106
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0037 0.0236
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0315 0.1297 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0016 0.0072
Entamoeba histolytica hypothetical protein 0.0037 0.0124 0.5
Schistosoma mansoni amine oxidase 0.0314 0.1289 0.1289
Mycobacterium tuberculosis Conserved hypothetical protein 0.0314 0.1289 0.148
Echinococcus granulosus protoporphyrinogen oxidase 0.2069 0.868 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0011 0.0025
Plasmodium vivax hypothetical protein, conserved 0.0314 0.1289 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0016 0.0016
Trypanosoma cruzi UDP-galactopyranose mutase 0.0314 0.1289 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Mycobacterium ulcerans monoamine oxidase 0.0314 0.1289 0.1284
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2383 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0124 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0016 0.0072
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0183 0.137
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Echinococcus granulosus ferritin 0.0009 0.0006 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0016 0.0072
Brugia malayi MH1 domain containing protein 0.001 0.0011 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0016 0.0072
Schistosoma mansoni coup transcription factor 0.0011 0.0016 0.0016
Schistosoma mansoni ferritin light chain 0.0009 0.0006 0.0006
Schistosoma mansoni apoferritin-2 0.0009 0.0006 0.0006
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0011 0.0011
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0085 0.0379
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0085 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0016 0.0072
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.2069 0.868 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0011 0.0012
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0037 0.0037
Echinococcus granulosus expressed protein 0.0009 0.0006 0.0007
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0085 0.0379
Brugia malayi Calcitonin receptor-like protein seb-1 0.016 0.0644 0.4964
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0576 0.4437
Schistosoma mansoni hypothetical protein 0.0109 0.043 0.043
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.043 0.33
Brugia malayi amine oxidase, flavin-containing family protein 0.0314 0.1289 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0016 0.0072
Echinococcus granulosus smad 0.001 0.0011 0.0012
Echinococcus multilocularis 0.0314 0.1289 0.1289
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.016 0.0644 0.4964
Mycobacterium tuberculosis Possible oxidoreductase 0.0314 0.1289 0.148
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0016 0.0016
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0031 0.0187
Loa Loa (eye worm) hypothetical protein 0.006 0.0221 0.1664
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0314 0.1289 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0011 0.0011
Schistosoma mansoni amine oxidase 0.0314 0.1289 0.1289
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0016 0.0019
Schistosoma mansoni cpg binding protein 0.0031 0.01 0.01
Schistosoma mansoni smad 0.001 0.0011 0.0011
Echinococcus multilocularis expressed protein 0.0009 0.0006 0.0006
Echinococcus granulosus lamin 0.0028 0.0085 0.0098
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0314 0.1289 1
Schistosoma mansoni hypothetical protein 0.0184 0.0745 0.0745
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0183 0.021
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0016 0.0072
Echinococcus granulosus intermediate filament protein 0.0028 0.0085 0.0098
Plasmodium falciparum protoporphyrinogen oxidase 0.0314 0.1289 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0016 0.0016
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0016 0.0072
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0085 0.0607
Brugia malayi nuclear hormone receptor 0.0011 0.0016 0.0072
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0016 0.0072
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0037 0.0037
Schistosoma mansoni lamin 0.0028 0.0085 0.0085
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0051 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0016 0.0019
Schistosoma mansoni hypothetical protein 0.0051 0.0183 0.0183
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0031 0.019
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0016 0.0072
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0093 0.0665
Loa Loa (eye worm) Smad1 0.001 0.0011 0.0025
Onchocerca volvulus 0.0029 0.0093 0.0601
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0025 0.0025
Echinococcus multilocularis smad 0.001 0.0011 0.0011
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0016 0.0068
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0183 0.0183
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0021 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0016 0.0068
Brugia malayi SWIRM domain containing protein 0.0314 0.1289 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0016 0.0019
Schistosoma mansoni intermediate filament proteins 0.0028 0.0085 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0016 0.0072
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0085 0.0377
Echinococcus granulosus dnaJ subfamily B 0.0418 0.1728 0.199
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0016 0.0016
Leishmania major UDP-galactopyranose mutase 0.0314 0.1289 1
Brugia malayi steroid hormone receptor 0.0011 0.0016 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0016 0.0072
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0085 0.061
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0016 0.0016
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0009
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0418 0.1728 0.1728
Mycobacterium ulcerans dehydrogenase 0.0314 0.1289 0.1284
Echinococcus granulosus lamin dm0 0.0028 0.0085 0.0098
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0085 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0122
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0016 0.0016
Echinococcus multilocularis lamin 0.0028 0.0085 0.0085
Schistosoma mansoni apoferritin-2 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.016 0.0644 0.4962
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0016 0.0016
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0016 0.0016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0016 0.0019
Onchocerca volvulus 0.0028 0.0085 0.0542
Plasmodium vivax hypothetical protein, conserved 0.0314 0.1289 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0093 0.0669
Echinococcus granulosus lysine specific histone demethylase 1A 0.0314 0.1289 0.1485
Echinococcus multilocularis cpg binding protein 0.0031 0.01 0.01
Echinococcus multilocularis tumor protein p63 0.0408 0.1687 0.1687
Echinococcus multilocularis dnaJ subfamily B 0.0418 0.1728 0.1728
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0016 0.0068
Brugia malayi MH2 domain containing protein 0.0144 0.0576 0.4439
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0016 0.0016
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0016 0.0016
Onchocerca volvulus 0.0028 0.0085 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0016 0.0072
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0085 0.0379
Brugia malayi Smad1 0.001 0.0011 0.0028
Loa Loa (eye worm) hypothetical protein 0.0109 0.043 0.3298
Schistosoma mansoni cpg binding protein 0.0029 0.0093 0.0093
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0016 0.0019
Brugia malayi hypothetical protein 0.0037 0.0124 0.0912
Brugia malayi nuclear receptor NHR-88 0.0011 0.0016 0.0072
Loa Loa (eye worm) pigment dispersing factor receptor c 0.016 0.0644 0.4962
Schistosoma mansoni ferritin 0.0009 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.0037 0.0124 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0314 0.1289 0.1485
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0037 0.0043
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0314 0.1289 0.1284
Echinococcus granulosus neuropeptide s receptor 0.0983 0.4106 0.473
Brugia malayi MH2 domain containing protein 0.001 0.0011 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Brugia malayi isocitrate dehydrogenase 0.0016 0.0037 0.0236
Brugia malayi hypothetical protein 0.0314 0.1289 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0016 0.0019
Toxoplasma gondii histone lysine-specific demethylase 0.0314 0.1289 0.994
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0016 0.0072
Onchocerca volvulus 0.0314 0.1289 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Schistosoma mansoni cpg binding protein 0.0031 0.01 0.01
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0016 0.0016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0016 0.0016
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0016 0.0016
Brugia malayi hypothetical protein 0.0027 0.0085 0.0606
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0037 0.0232
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0016 0.0072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0231 0.0231
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0016 0.0016
Schistosoma mansoni Smad4 0.001 0.0011 0.0011
Onchocerca volvulus 0.006 0.0221 0.1606
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0314 0.1289 1
Mycobacterium ulcerans oxidoreductase 0.0314 0.1289 0.1284
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2383 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0314 0.1289 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0011 0.0011
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0011 0.0012
Schistosoma mansoni lamin 0.0028 0.0085 0.0085
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0183 0.137
Echinococcus multilocularis lamin dm0 0.0028 0.0085 0.0085
Trypanosoma cruzi UDP-galactopyranose mutase 0.0314 0.1289 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0016 0.0016
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0183 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0016 0.0068
Leishmania major hypothetical protein, conserved 0.0027 0.0085 0.0379
Brugia malayi MH2 domain containing protein 0.001 0.0011 0.0028
Echinococcus granulosus Smad4 0.001 0.0011 0.0012
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0221 0.0221
Echinococcus granulosus GPCR family 2 0.0051 0.0183 0.021
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0037 0.0037
Schistosoma mansoni smad1 5 8 and 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0083 0.059

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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