Detailed information for compound 1448787

Basic information

Technical information
  • TDR Targets ID: 1448787
  • Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(4-met hylphenyl)sulfonylpiperidin-3-yl]methanone
  • MW: 408.512 | Formula: C20H28N2O5S
  • H donors: 0 H acceptors: 3 LogP: 1.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC2(CC1)OCCO2
  • InChi: 1S/C20H28N2O5S/c1-16-4-6-18(7-5-16)28(24,25)22-10-2-3-17(15-22)19(23)21-11-8-20(9-12-21)26-13-14-27-20/h4-7,17H,2-3,8-15H2,1H3
  • InChiKey: CMULIUSPVCLMHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(4-methylphenyl)sulfonyl-3-piperidyl]methanone
  • 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]methanone
  • 8-({1-[(4-methylphenyl)sulfonyl]piperidin-3-yl}carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
  • MLS000046326
  • SMR000031937

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
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ap endonuclease 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii exonuclease III APE 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
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear receptor NHR-88 0.0025 0.0031 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0389 0.0389
Brugia malayi conserved hypotetical protein 0.0025 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Schistosoma mansoni nuclear receptor 0.0025 0.0031 0.0031
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0389 0.0389
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0279 0.0279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0053 0.0389 0.0389
Onchocerca volvulus Protein ultraspiracle homolog 0.0053 0.0389 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0028 0.0069 0.0069
Brugia malayi Nuclear hormone receptor E75 0.0025 0.0031 0.0031
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0279 0.0279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.0389 0.0389
Echinococcus granulosus transcription factor Dp 1 0.0469 0.5667 0.5667
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.0389 0.0389
Brugia malayi ecdysteroid receptor 0.0053 0.0389 0.0389
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.0389 0.0389
Brugia malayi orphan nuclear receptor NR2E1 0.0025 0.0031 0.0031
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0279 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.0389 0.0389
Echinococcus granulosus Nuclear hormone receptor HR96 0.0025 0.0031 0.0031
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0279 0.0279
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Echinococcus granulosus nuclear receptor nhr 48 0.0025 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0053 0.0389 0.0389
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0025 0.0031 0.0031
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0279 0.0279
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0279 0.0279
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0389 0.0389
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0025 0.0031 0.0031
Schistosoma mansoni zinc finger protein 0.0025 0.0031 0.0031
Schistosoma mansoni nuclear hormone receptor 0.0025 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0389 0.0389
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.0389 0.0389
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.081 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.081 1 1
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0389 0.0389
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0279 0.0279
Brugia malayi nuclear receptor NHR-88 0.0053 0.0389 0.0389
Schistosoma mansoni nuclear receptor 0.0025 0.0031 0.0031
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus granulosus Nuclear hormone receptor HR96 0.0025 0.0031 0.0031
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.0389 0.0389
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0389 0.0389
Schistosoma mansoni nuclear hormone receptor 0.0025 0.0031 0.0031
Onchocerca volvulus Bile acid receptor homolog 0.0053 0.0389 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0053 0.0389 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0025 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0069
Loa Loa (eye worm) nuclear hormone receptor 0.0025 0.0031 0.0031
Echinococcus granulosus thyroid hormone receptor alpha 0.0025 0.0031 0.0031
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.0389 0.0389
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.081 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0719 0.8847 0.8847
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0389 0.0389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0025 0.0031 0.0031
Brugia malayi hypothetical protein 0.0028 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0279 1
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0069 0.0069
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0045 0.0279 0.0279
Brugia malayi hypothetical protein 0.0028 0.0069 0.0069
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0469 0.5667 0.5667
Brugia malayi nuclear hormone receptor family member nhr-6 0.0025 0.0031 0.0031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0389 0.0389
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0031 0.0031
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Loa Loa (eye worm) steroid hormone receptor 0.0053 0.0389 0.0389
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.081 1 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0279 0.0279
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.081 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0069 0.0069
Brugia malayi tailless protein 0.0025 0.0031 0.0031
Brugia malayi nuclear receptor RXR 0.0025 0.0031 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.0389 0.0389
Brugia malayi hypothetical protein 0.0025 0.0031 0.0031
Brugia malayi hypothetical protein 0.0025 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0389 0.0389
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0028 0.0069 0.0069
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.0389 0.0389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0389 0.0389
Echinococcus multilocularis nuclear receptor nhr 48 0.0025 0.0031 0.0031
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0025 0.0031 0.0031
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0279 0.0279
Echinococcus granulosus FTZ F1 alpha 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Brugia malayi MH2 domain containing protein 0.0144 0.1544 0.1544
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.0389 0.0389
Brugia malayi steroid hormone receptor 0.0053 0.0389 0.0389
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.081 1 1
Brugia malayi Nuclear hormone receptor E75 0.0025 0.0031 0.0031
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0025 0.0031 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0031 0.0031
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0389 0.0389
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0747 0.9205 0.9205
Echinococcus granulosus ecdysone induced protein 78C 0.0053 0.0389 0.0389
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.081 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0028 0.0069 0.0069
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0069 0.0069
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0279 0.0279
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.0389 0.0389
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1544 0.1544
Onchocerca volvulus 0.0053 0.0389 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0053 0.0389 0.0389
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.0389 0.0389
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.0389 0.0389
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0279 0.0279
Brugia malayi nuclear hormone receptor 0.0053 0.0389 0.0389
Schistosoma mansoni nuclear receptor nhr-48 0.0025 0.0031 0.0031
Brugia malayi ecdysone receptor 0.0025 0.0031 0.0031
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0025 0.0031 0.0031
Brugia malayi nuclear receptor NHR-67 0.0025 0.0031 0.0031
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0279 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.0389 0.0389
Schistosoma mansoni retinoic acid receptor RXR 0.0747 0.9205 0.9205
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0053 0.0389 0.0389
Brugia malayi nuclear receptor RXR 0.0028 0.0069 0.0069
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.0389 0.0389
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Brugia malayi nuclear hormone receptor 0.0025 0.0031 0.0031
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.0389 0.0389
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1544 0.1544
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.081 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0053 0.0389 0.0389
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.0389 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0053 0.0389 0.0389
Schistosoma mansoni coup transcription factor 0.0053 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.0389
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.081 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0025 0.0031 0.0031
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0025 0.0031 0.0031
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.0389 0.0389
Loa Loa (eye worm) DR-78 0.0025 0.0031 0.0031
Loa Loa (eye worm) nuclear receptor NHR-67 0.0025 0.0031 0.0031
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0028 0.0069 0.0069
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0279 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0251 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0738 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
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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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