Detailed information for compound 1400442

Basic information

Technical information
  • TDR Targets ID: 1400442
  • Name: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-di oxooctahydro-2H-4,7-methanoisoindol-2-yl)acet ate
  • MW: 400.382 | Formula: C20H20N2O7
  • H donors: 0 H acceptors: 6 LogP: 2.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)C2C(C1=O)C1CC2CC1)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C
  • InChi: 1S/C20H20N2O7/c1-10-2-3-11(7-14(10)22(27)28)15(23)9-29-16(24)8-21-19(25)17-12-4-5-13(6-12)18(17)20(21)26/h2-3,7,12-13,17-18H,4-6,8-9H2,1H3
  • InChiKey: IEVFBIHHVIHAHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000585240
  • SMR000204003
  • STK269504

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis voltage dependent calcium channel 0.011 0.2628 0.4542
Echinococcus granulosus voltage dependent calcium channel 0.011 0.2628 0.4542
Schistosoma mansoni hypothetical protein 0.0018 0.0168 0.0324
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1646 0.3173
Onchocerca volvulus 0.0023 0.0311 0.1089
Echinococcus granulosus transient receptor potential gamma protein 0.0207 0.5189 0.8969
Onchocerca volvulus Huntingtin homolog 0.0119 0.2853 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0156 0.027
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0311 0.0362
Entamoeba histolytica hypothetical protein 0.004 0.0766 0.047
Echinococcus multilocularis global transcription activator snf2l2 0.0075 0.169 0.2922
Schistosoma mansoni voltage-gated cation channel 0.011 0.2628 0.5064
Loa Loa (eye worm) hypothetical protein 0.0023 0.0311 0.0537
Schistosoma mansoni hypothetical protein 0.0013 0.0045 0.0087
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1646 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2853 0.4931
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.071 0.1228
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.3935 0.4347
Loa Loa (eye worm) hypothetical protein 0.0017 0.0156 0.027
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.3238 0.5596
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1646 0.1602
Echinococcus granulosus GPCR family 2 0.0018 0.0168 0.029
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1646 0.3173
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1646 0.3538
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.8648 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0168 0.029
Echinococcus multilocularis GPCR, family 2 0.0018 0.0168 0.029
Brugia malayi hypothetical protein 0.0229 0.5786 1
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0013 0.0045 0.0078
Echinococcus granulosus transient receptor potential ion channel A 0.0196 0.4895 0.846
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0311 0.0418
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.011 0.2628 0.5064
Loa Loa (eye worm) BRM protein 0.0039 0.073 0.1261
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0311 0.0362
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.3935 0.4039
Brugia malayi hypothetical protein 0.004 0.0766 0.1325
Echinococcus granulosus global transcription activator snf2l2 0.0075 0.169 0.2922
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0766 0.1477
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.011 0.2628 0.4542
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0311 0.0362
Toxoplasma gondii exonuclease III APE 0.0039 0.0742 0.447
Loa Loa (eye worm) BRM protein 0.0048 0.0971 0.1679
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.011 0.2628 0.4542
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.011 0.2628 0.4542
Loa Loa (eye worm) hypothetical protein 0.0056 0.1177 0.2035
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0168 0.029
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1646 0.2846
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0766 0.1325
Schistosoma mansoni ap endonuclease 0.0039 0.0742 0.1429
Echinococcus multilocularis short transient receptor potential channel 6 0.0138 0.337 0.5825
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0959 0.0274
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.011 0.2631 0.2395
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0742 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0156 0.5
Onchocerca volvulus Huntingtin homolog 0.0119 0.2853 1
Loa Loa (eye worm) helicase DNA-binding protein 0.0013 0.0045 0.0078
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0043 0.0837 0.0121
Echinococcus multilocularis voltage dependent calcium channel 0.011 0.2628 0.4542
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0742 1
Toxoplasma gondii transporter, cation channel family protein 0.0043 0.0837 0.5053
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0311 0.0537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0742 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0311 0.0537
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0959 0.0274
Schistosoma mansoni hypothetical protein 0.0018 0.0168 0.0324
Loa Loa (eye worm) hypothetical protein 0.0229 0.5786 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0311 0.0418
Echinococcus multilocularis short transient receptor potential channel 6 0.0138 0.337 0.5825
Entamoeba histolytica hypothetical protein 0.004 0.0766 0.047
Brugia malayi BRM protein 0.0075 0.169 0.2922
Echinococcus granulosus short transient receptor potential channel 6 0.0138 0.337 0.5825
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0742 0.1425
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1646 0.35
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0156 0.0058
Echinococcus granulosus short transient receptor potential channel 6 0.0138 0.337 0.5825
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.5786 1
Toxoplasma gondii hypothetical protein 0.0032 0.0542 0.3252
Schistosoma mansoni survival motor neuron protein 0.0047 0.0942 0.1815
Entamoeba histolytica hypothetical protein 0.011 0.2631 0.2395
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.011 0.2628 0.4542
Loa Loa (eye worm) hypothetical protein 0.0023 0.0311 0.0537
Loa Loa (eye worm) hypothetical protein 0.0017 0.0156 0.027
Loa Loa (eye worm) hypothetical protein 0.0127 0.3075 0.5316
Echinococcus granulosus geminin 0.0189 0.4721 0.8159
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0742 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0766 0.1477
Schistosoma mansoni hypothetical protein 0.0189 0.4721 0.9097
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1177 0.2035
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.011 0.2628 0.5064
Schistosoma mansoni hypothetical protein 0.0013 0.0045 0.0087
Toxoplasma gondii hypothetical protein 0.0054 0.1144 0.6927
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0311 0.0362
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0156 0.1995
Schistosoma mansoni transient receptor potential channel 4 0.0207 0.5189 1
Echinococcus multilocularis geminin 0.0189 0.4721 0.8159
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1646 0.35
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0742 0.1282
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1646 0.2846
Loa Loa (eye worm) voltage-dependent calcium channel 0.0043 0.0837 0.1447
Brugia malayi MH2 domain containing protein 0.0133 0.3238 0.5596
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0168 0.029
Loa Loa (eye worm) hypothetical protein 0.0038 0.071 0.1228
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.011 0.2628 0.4542
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1646 0.35
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0742 0.1282
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.1234 0.0623
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1177 0.2035
Schistosoma mansoni ap endonuclease 0.0039 0.0742 0.1429
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0311 0.0537
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.029
Schistosoma mansoni hypothetical protein 0.0018 0.0168 0.0324
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Schistosoma mansoni hypothetical protein 0.0189 0.4721 0.9097
Loa Loa (eye worm) hypothetical protein 0.0069 0.152 0.2627
Loa Loa (eye worm) hypothetical protein 0.008 0.1814 0.3136
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0045 0.0078
Schistosoma mansoni hypothetical protein 0.0018 0.0168 0.0324
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0043 0.0837 0.0121
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.3238 0.5596
Echinococcus multilocularis Chromo domain 0.0013 0.0045 0.0078
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0168 0.029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1177 0.2035
Loa Loa (eye worm) hypothetical protein 0.0017 0.0156 0.027
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0311 0.0362
Brugia malayi Transient-receptor-potential like protein 0.008 0.1814 0.3136
Brugia malayi hypothetical protein 0.0119 0.2853 0.4931
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0959 0.0274
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.011 0.2628 0.4542
Schistosoma mansoni transient receptor potential channel 0.0207 0.5189 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0742 0.0445
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0742 0.1282
Loa Loa (eye worm) calcium channel 0.011 0.2628 0.4542
Echinococcus granulosus BRK domain containing protein 0.0013 0.0045 0.0078
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.5786 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0156 0.1995
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0742 0.0517
Loa Loa (eye worm) hypothetical protein 0.0032 0.0542 0.0938
Loa Loa (eye worm) hypothetical protein 0.0023 0.0311 0.0537
Echinococcus granulosus TRP transient receptor potential channel 0.008 0.1814 0.3136
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0742 0.1282
Mycobacterium tuberculosis Conserved hypothetical protein 0.0178 0.4414 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0942 0.1628
Loa Loa (eye worm) hypothetical protein 0.0119 0.2853 0.4931
Loa Loa (eye worm) hypothetical protein 0.0207 0.5189 0.8969
Echinococcus multilocularis transient receptor potential ion channel A 0.0196 0.4895 0.846
Loa Loa (eye worm) hypothetical protein 0.0032 0.0542 0.0938
Schistosoma mansoni hypothetical protein 0.0047 0.0942 0.1815
Schistosoma mansoni helicase 0.0075 0.169 0.3258
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0168 0.029
Schistosoma mansoni hypothetical protein 0.0038 0.071 0.1369
Mycobacterium ulcerans hypothetical protein 0.0023 0.0311 0.0362
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.011 0.2628 0.4542
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.8648 1
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0742 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0837 0.1447
Echinococcus granulosus voltage dependent calcium channel 0.0043 0.0837 0.1447
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0742 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0337 0.8648 1
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0014 0.0063 0.0322
Mycobacterium ulcerans hypothetical protein 0.0178 0.4414 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0311 0.0362
Entamoeba histolytica hypothetical protein 0.004 0.0766 0.047
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0311 0.0362
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0045 0.0078
Entamoeba histolytica hypothetical protein 0.004 0.0766 0.047
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0168 0.029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0766 0.1325
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0959 0.0274
Leishmania major mitochondrial DNA polymerase beta 0.0337 0.8648 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.008 0.1814 0.3136
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0311 0.5
Onchocerca volvulus 0.0047 0.0942 0.3301
Echinococcus granulosus Chromo domain 0.0013 0.0045 0.0078
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.3935 0.4039
Echinococcus multilocularis BRK domain 0.0013 0.0045 0.0078
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0168 0.029
Loa Loa (eye worm) hypothetical protein 0.011 0.2628 0.4542
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0742 0.1375
Echinococcus multilocularis transient receptor potential gamma protein 0.0207 0.5189 0.8969
Schistosoma mansoni transient receptor potential channel 0.0138 0.337 0.6494
Schistosoma mansoni transient receptor potential channel 0.0138 0.337 0.6494
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0311 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.011 0.2628 0.4542
Loa Loa (eye worm) hypothetical protein 0.0017 0.0156 0.027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0063 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 16.5113 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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.
 
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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