Detailed information for compound 1317307

Basic information

Technical information
  • TDR Targets ID: 1317307
  • Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-din itrophenyl]acetamide
  • MW: 393.371 | Formula: C16H15N3O7S
  • H donors: 1 H acceptors: 7 LogP: 2.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)Cc1c(ccc(c1[N+](=O)[O-])NC(=O)C)[N+](=O)[O-]
  • InChi: 1S/C16H15N3O7S/c1-10-3-5-12(6-4-10)27(25,26)9-13-15(18(21)22)8-7-14(17-11(2)20)16(13)19(23)24/h3-8H,9H2,1-2H3,(H,17,20)
  • InChiKey: DMOKNIISTHCWCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-phenyl]acetamide
  • N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-phenyl]ethanamide
  • Oprea1_382520
  • T0504-5601

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear hormone receptor 0.001 0.01 0.0094
Echinococcus granulosus GPCR family 2 0.0162 0.3097 0.8974
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0391 0.1114
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0162 0.3097 0.8974
Schistosoma mansoni thyroid hormone receptor 0.001 0.01 0.0147
Loa Loa (eye worm) latrophilin receptor protein 2 0.0162 0.3097 0.3092
Brugia malayi photoreceptor-specific nuclear receptor 0.0245 0.4729 0.4725
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.055 1
Schistosoma mansoni smad 0.0025 0.0391 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.01 0.0094
Brugia malayi hypothetical protein 0.0038 0.0641 0.0635
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.01 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.018 0.3451 0.3446
Echinococcus granulosus Smad4 0.0025 0.0391 0.1114
Loa Loa (eye worm) RNA binding protein 0.013 0.2458 0.2453
Echinococcus granulosus FTZ F1 alpha 0.001 0.01 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.01 0.0094
Schistosoma mansoni tar DNA-binding protein 0.013 0.2458 0.3613
Loa Loa (eye worm) MH2 domain-containing protein 0.0364 0.7071 0.7069
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.01 0.0147
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0584 0.0578
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0641 0.0942
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.01 0.0094
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.055 0.1578
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0032 0.0535 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0188
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.055 0.1578
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0113 0.0309
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.01 0.0094
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0391 0.0384
Schistosoma mansoni Smad4 0.0025 0.0391 0.0574
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.01 0.0271
Loa Loa (eye worm) hypothetical protein 0.0158 0.3007 0.3003
Schistosoma mansoni thyroid hormone receptor 0.001 0.01 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0535 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.01 0.0147
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0158 0.3007 1
Brugia malayi Latrophilin receptor protein 2 0.0162 0.3097 0.3092
Loa Loa (eye worm) transcription factor SMAD2 0.0364 0.7071 0.7069
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0158 0.3007 0.8713
Echinococcus multilocularis smad 0.0025 0.0391 0.1114
Echinococcus multilocularis muscleblind protein 1 0.018 0.3451 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.3007 1
Brugia malayi hypothetical protein 0.0032 0.0535 0.0529
Brugia malayi ecdysteroid receptor 0.001 0.01 0.0094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.01 0.0271
Entamoeba histolytica hypothetical protein 0.0038 0.0641 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.1938 0.5672
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0641 0.1842
Echinococcus granulosus cpg binding protein 0.0037 0.0623 0.179
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Loa Loa (eye worm) TAR-binding protein 0.013 0.2458 0.2453
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Schistosoma mansoni topbp1 0.0032 0.0535 0.0787
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0032 0.0535 0.0529
Brugia malayi MH1 domain containing protein 0.0025 0.0391 0.0384
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0162 0.3097 0.3092
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0158 0.3007 1
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.018 0.3451 0.3446
Brugia malayi MH2 domain containing protein 0.0011 0.012 0.0114
Schistosoma mansoni Smad4 0.0011 0.012 0.0177
Loa Loa (eye worm) MH2 domain-containing protein 0.0011 0.012 0.0114
Loa Loa (eye worm) hypothetical protein 0.0014 0.0172 0.0166
Brugia malayi Isocitrate dehydrogenase 0.0033 0.055 0.0544
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.055 0.1578
Brugia malayi TAR-binding protein 0.013 0.2458 0.2453
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0054 0.0972 0.1766
Brugia malayi Calcitonin receptor-like protein seb-1 0.0513 1 1
Schistosoma mansoni DNA ligase IV 0.0032 0.0535 0.0787
Echinococcus multilocularis mothers against decapentaplegic 6 0.0011 0.012 0.033
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0972 0.1766
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0391 0.1114
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0011 0.012 0.0416
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0113 0.0309
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0972 0.1766
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.01 0.0147
Onchocerca volvulus 0.0035 0.0584 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.01 0.0271
Schistosoma mansoni hypothetical protein 0.0162 0.3097 0.4551
Brugia malayi isocitrate dehydrogenase 0.0033 0.055 0.0544
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Echinococcus granulosus mothers against decapentaplegic 2 0.0011 0.012 0.033
Brugia malayi hypothetical protein 0.0032 0.0535 0.0529
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0158 0.3007 0.8713
Echinococcus multilocularis mothers against decapentaplegic 2 0.0011 0.012 0.033
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0072 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.01 0.0094
Echinococcus granulosus nibrin 0.0032 0.0535 0.1535
Echinococcus granulosus mothers against decapentaplegic 6 0.0011 0.012 0.033
Echinococcus multilocularis replication factor c subunit 1 0.0032 0.0535 0.1535
Brugia malayi MH2 domain containing protein 0.0025 0.0391 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.01 0.0094
Schistosoma mansoni chromosome transmission fidelity factor 0.0032 0.0535 0.0787
Brugia malayi DKFZp564C0469 protein 0.0032 0.0535 0.0529
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.1938 0.5606
Toxoplasma gondii hypothetical protein 0.0054 0.0972 0.1766
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.01 0.0271
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.1938 0.5606
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0391 0.0574
Onchocerca volvulus 0.0032 0.0535 0.8987
Schistosoma mansoni hypothetical protein 0.0162 0.3097 0.4551
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0011 0.012 0.0114
Brugia malayi Steroid receptor seven-up type 2 0.001 0.01 0.0094
Giardia lamblia Replication factor C, subunit 1 0.0032 0.0535 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.055 0.0061
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.01 0.0271
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0162 0.3097 0.8974
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.01 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.01 0.0094
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0032 0.0535 1
Brugia malayi Pax transcription activation domain interacting protein 0.0032 0.0535 0.0529
Schistosoma mansoni tar DNA-binding protein 0.013 0.2458 0.3613
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.055 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.01 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.01 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0535 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.01 0.0271
Trichomonas vaginalis replication factor C large subunit, putative 0.0032 0.0535 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0032 0.0535 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0513 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0188
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.01 0.0271
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.0162 0.3097 0.3092
Schistosoma mansoni tar DNA-binding protein 0.013 0.2458 0.3613
Schistosoma mansoni hypothetical protein 0.0162 0.3097 0.4551
Loa Loa (eye worm) hypothetical protein 0.0351 0.6805 0.6803
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.01 0.0271
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.01 0.0147
Brugia malayi RNA recognition motif domain containing protein 0.013 0.2458 0.2453
Loa Loa (eye worm) hypothetical protein 0.0513 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0391 0.1114
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.01 0.0147
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.055 0.0544
Schistosoma mansoni tar DNA-binding protein 0.013 0.2458 0.3613
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0391 0.0384
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.01 0.0271
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.01 0.0271
Loa Loa (eye worm) steroid hormone receptor 0.001 0.01 0.0094
Echinococcus multilocularis Smad4 0.0025 0.0391 0.1114
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Brugia malayi MH1 domain containing protein 0.0025 0.0391 0.0384
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1349 0.1983
Loa Loa (eye worm) hypothetical protein 0.0032 0.0535 0.0529
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0114
Echinococcus multilocularis muscleblind protein 0.018 0.3451 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.055 0.5
Loa Loa (eye worm) nuclear factor I 0.0014 0.0172 0.0166
Echinococcus granulosus muscleblind protein 0.018 0.3451 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.01 0.0147
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.01 0.0094
Schistosoma mansoni hypothetical protein 0.0038 0.0641 0.0942
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.055 0.1578
Brugia malayi MH1 domain containing protein 0.0014 0.0172 0.0166
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0162 0.3097 0.8974
Schistosoma mansoni hypothetical protein 0.0162 0.3097 0.4551
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.01 0.0094
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0007 0.001
Echinococcus granulosus smad 0.0025 0.0391 0.1114
Echinococcus multilocularis tar DNA binding protein 0.013 0.2458 0.7119
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.01 0.0094
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.01 0.0147
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.01 0.0147
Schistosoma mansoni nuclear hormone receptor 0.001 0.01 0.0147
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Schistosoma mansoni topbp1 0.0032 0.0535 0.0787
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.055 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.01 0.0094
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0162 0.3097 0.8974
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0535 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0623 0.179
Schistosoma mansoni smad1 5 8 and 0.0025 0.0391 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.01 0.0094
Brugia malayi Muscleblind-like protein 0.018 0.3451 0.3446
Echinococcus granulosus replication factor c subunit 1 0.0032 0.0535 0.1535
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0972 0.1766
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.01 0.0271
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Brugia malayi RNA binding protein 0.013 0.2458 0.2453
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0641 0.1842
Brugia malayi latrophilin 2 splice variant baaae 0.0351 0.6805 0.6803
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0111 0.0104
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1195 0.2667
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.01 0.0271
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.055 0.0809
Schistosoma mansoni cpg binding protein 0.0037 0.0623 0.0916
Entamoeba histolytica hypothetical protein 0.0038 0.0641 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.01 0.0094
Brugia malayi Probable ClpP-like protease 0.0158 0.3007 0.3003
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0103 0.1938 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.055 0.1578
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.01 0.0094
Brugia malayi steroid hormone receptor 0.001 0.01 0.0094
Schistosoma mansoni cpg binding protein 0.0035 0.0584 0.0859
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.01 0.0271
Loa Loa (eye worm) hypothetical protein 0.0245 0.4729 0.4725
Brugia malayi MH2 domain containing protein 0.0364 0.7071 0.7069
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0158 0.3007 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0391 0.1114
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0535 1
Brugia malayi Smad1 0.0025 0.0391 0.0384
Echinococcus multilocularis GPCR, family 2 0.0162 0.3097 0.8974
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.055 0.1578
Schistosoma mansoni hypothetical protein 0.0351 0.6805 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.2458 0.2453
Echinococcus multilocularis FTZ F1 alpha 0.001 0.01 0.0271
Schistosoma mansoni smad 0.0011 0.012 0.0177
Schistosoma mansoni smad1 5 8 and 0.0025 0.0391 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.01 0.0271
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.01 0.0271
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.055 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0011 0.012 0.0114
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0032 0.0535 1
Entamoeba histolytica hypothetical protein 0.0038 0.0641 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.01 0.0147
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.055 1
Echinococcus multilocularis nibrin 0.0032 0.0535 0.1535
Brugia malayi MH2 domain containing protein 0.0025 0.0391 0.0384
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0072 0.0105
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0007 0.001
Brugia malayi MH1 domain containing protein 0.0014 0.0172 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0535 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0584 0.0578
Schistosoma mansoni Smad4 0.0011 0.012 0.0177
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0103 0.1938 1
Entamoeba histolytica hypothetical protein 0.0038 0.0641 1
Loa Loa (eye worm) Smad1 0.0025 0.0391 0.0384
Loa Loa (eye worm) hypothetical protein 0.001 0.01 0.0094
Brugia malayi topoisomerase 0.0032 0.0535 0.0529
Schistosoma mansoni peptidase Clp (S14 family) 0.0158 0.3007 0.4419
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.3007 1
Schistosoma mansoni coup transcription factor 0.001 0.01 0.0147
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.055 0.0061
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.055 0.0061
Schistosoma mansoni cpg binding protein 0.0037 0.0623 0.0916
Schistosoma mansoni smad1 5 8 and 0.0025 0.0391 0.0574
Echinococcus granulosus tar DNA binding protein 0.013 0.2458 0.7119
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0113 0.0106
Brugia malayi nuclear receptor NHR-88 0.001 0.01 0.0094
Schistosoma mansoni tar DNA-binding protein 0.013 0.2458 0.3613
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0072 0.0188

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (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.
 
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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