Detailed information for compound 1882213

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.473 | Formula: C21H21N3O6S
  • H donors: 2 H acceptors: 4 LogP: 2.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=N/NC(=O)CN(S(=O)(=O)c2ccccc2)Cc2ccco2)ccc1O
  • InChi: 1S/C21H21N3O6S/c1-29-20-12-16(9-10-19(20)25)13-22-23-21(26)15-24(14-17-6-5-11-30-17)31(27,28)18-7-3-2-4-8-18/h2-13,25H,14-15H2,1H3,(H,23,26)/b22-13+
  • InChiKey: YLEJSVKDJVLGRL-LPYMAVHISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 hormone receptor family member nhr-40 0.0012 0.0437 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0437 0.0418
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.2527 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0437 0.0418
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0437 0.1646
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0437 0.3636
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0437 0.1646
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0949 0.3756
Brugia malayi nuclear receptor NHR-88 0.0012 0.0437 0.0418
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.2527 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0266 0.2218
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0437 0.0418
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0035 0.0035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0437 0.1646
Loa Loa (eye worm) hypothetical protein 0.0007 0.0035 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0437 0.3636
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0437 0.0437
Schistosoma mansoni DNA helicase recq1 0.0012 0.042 0.3494
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0007 0.0035 0.0138
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.2218
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.042 0.1578
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.1661
Echinococcus granulosus sulfhydryl oxidase 1 0.0007 0.0035 0.0039
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.0401
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0671 0.2555
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0437 0.3636
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0437 0.3636
Schistosoma mansoni Smad4 0.001 0.0266 0.2218
Leishmania major hypothetical protein, conserved 0.0041 0.2527 1
Brugia malayi MH1 domain containing protein 0.001 0.0266 0.0245
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0025 0.0207
Brugia malayi MH1 domain containing protein 0.001 0.0266 0.0245
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.2527 1
Brugia malayi nuclear hormone receptor 0.0012 0.0437 0.0418
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0437 0.0437
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0437 0.3636
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0437 0.0418
Brugia malayi steroid hormone receptor 0.0012 0.0437 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0437 0.1646
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0437 0.3636
Brugia malayi Erv1 / Alr family protein 0.0007 0.0035 0.001
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0437 0.0437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0437 0.0437
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0437 0.1646
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0437 0.0418
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1637 0.6444
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.2527 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0437 0.3636
Loa Loa (eye worm) quiescin Q6 0.0007 0.0035 0.0035
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0437 0.1646
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0437 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0437 0.0418
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0437 0.0418
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0007 0.0035 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Brugia malayi MH2 domain containing protein 0.001 0.0266 0.0245
Brugia malayi quiescin Q6 0.0007 0.0035 0.001
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0437 0.3636
Toxoplasma gondii Erv1 / Alr family protein 0.0007 0.0035 0.0138
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.042 0.1544
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0437 0.0418
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0266 0.0266
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.2527 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0437 0.1646
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0437 0.3636
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0437 0.3636
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0671 0.2657
Echinococcus multilocularis sulfhydryl oxidase 1 0.0007 0.0035 0.0039
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0437 0.1646
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0437 0.3636
Brugia malayi Smad1 0.001 0.0266 0.0245
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.042 0.1578
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.042 0.042
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.0401
Echinococcus multilocularis smad 0.001 0.0266 0.0965
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0266 0.0266
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.042 0.1578
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0437 0.0418
Schistosoma mansoni DNA helicase recq5 0.0012 0.042 0.3494
Schistosoma mansoni smad 0.001 0.0266 0.2218
Echinococcus granulosus Smad4 0.001 0.0266 0.0965
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0437 0.1646
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0437 0.0418
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0437 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.9875 0.9875
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0437 0.1646
Loa Loa (eye worm) Erv1/Alr family protein 0.0007 0.0035 0.0035
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1637 0.1637
Schistosoma mansoni coup transcription factor 0.0012 0.0437 0.3636
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1637 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0437 0.0437
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.1385 0.542
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1637 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0025 0.0207
Loa Loa (eye worm) hypothetical protein 0.0012 0.0437 0.0437
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0266 0.0965
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0437 0.0437
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.042 0.1578
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0437 0.0437
Onchocerca volvulus 0.0012 0.0437 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0266 0.0965
Loa Loa (eye worm) Smad1 0.001 0.0266 0.0266
Brugia malayi Augmenter of liver regeneration 0.0041 0.2527 0.254
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0000000003529 0.5
Schistosoma mansoni quiescin q6-related sulfhydryl oxidase 0.0007 0.0035 0.029
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0266 0.0965
Brugia malayi MH2 domain containing protein 0.001 0.0266 0.0245
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0437 0.1646
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0966 0.3736
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0437 0.0418
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.2218
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0671 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.2527 1
Echinococcus granulosus bloom syndrome protein 0.0029 0.1637 0.6444
Loa Loa (eye worm) RecQ helicase 0.0029 0.1637 0.1637
Brugia malayi ecdysteroid receptor 0.0012 0.0437 0.0418
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0025
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.2218
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0437 0.0418
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0437 0.1646
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0437 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.1661
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0437 0.1646
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0437 0.0418
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.1201 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0437 0.1646
Brugia malayi MH2 domain containing protein 0.0144 0.9875 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0437 0.1646
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0437 0.1646
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0437 0.1646
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0437 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0437 0.0437
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0437 0.3636
Echinococcus granulosus smad 0.001 0.0266 0.0965
Echinococcus multilocularis Smad4 0.001 0.0266 0.0965
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.042 0.5
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.2527 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.2527 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.9875 0.9875
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.2527 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0437 0.1646
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.2527 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0025 0.0025
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0266 0.0965

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 1.132 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
IC50 (functional) 39.99 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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) = 50.1187 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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

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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