Detailed information for compound 711226

Basic information

Technical information
  • TDR Targets ID: 711226
  • Name: 4-[(3-ethoxy-2-prop-2-enoxyphenyl)methylamino ]benzoic acid
  • MW: 327.374 | Formula: C19H21NO4
  • H donors: 2 H acceptors: 2 LogP: 3.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1c(cccc1OCC)CNc1ccc(cc1)C(=O)O
  • InChi: 1S/C19H21NO4/c1-3-12-24-18-15(6-5-7-17(18)23-4-2)13-20-16-10-8-14(9-11-16)19(21)22/h3,5-11,20H,1,4,12-13H2,2H3,(H,21,22)
  • InChiKey: BWOLZJCLEIOMAB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-allyloxy-3-ethoxy-phenyl)methylamino]benzoic acid
  • 4-[(2-allyloxy-3-ethoxyphenyl)methylamino]benzoic acid
  • 4-[(2-allyloxy-3-ethoxy-benzyl)amino]benzoic acid
  • 4-[(3-ethoxy-2-prop-2-enoxy-phenyl)methylamino]benzoic acid
  • MLS000581780
  • 4-{[2-(allyloxy)-3-ethoxybenzyl]amino}benzoic acid
  • AP-970/42167174
  • SMR000200306

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0049 0.0985 0.1848
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.0519 0.1297
Toxoplasma gondii hypothetical protein 0.012 0.3233 0.3713
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0028 0.0321 0.0321
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0026 0.0026
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0519 0.0519
Trichomonas vaginalis guanylate cyclase, putative 0.0028 0.0304 0.2784
Plasmodium vivax hypothetical protein, conserved 0.012 0.3233 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0026 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0015 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0519 0.1606
Leishmania major chitinase 0.0075 0.1821 1
Brugia malayi nuclear receptor NHR-88 0.0035 0.0519 0.1606
Echinococcus multilocularis protein patched 0.0051 0.1044 0.1044
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0028 0.0304 0.1549
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0519 0.133
Loa Loa (eye worm) chitinase I 0.0075 0.1821 0.4662
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1467 0.5715
Toxoplasma gondii PAN domain-containing protein 0.0291 0.8682 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.012 0.3233 0.3233
Echinococcus multilocularis aryl hydrocarbon receptor 0.0141 0.3922 0.3922
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.1725 0.1725
Onchocerca volvulus 0.0049 0.0967 0.2448
Onchocerca volvulus 0.0141 0.3906 1
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Brugia malayi CHE-14 protein 0.0051 0.1044 0.3229
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0026 0.0026
Brugia malayi endochitinase 0.0085 0.2111 0.6529
Loa Loa (eye worm) hypothetical protein 0.0064 0.1467 0.3756
Brugia malayi ecdysteroid receptor 0.0035 0.0519 0.1606
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.3265 0.6123
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0519 0.0974
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.012 0.3233 0.8277
Echinococcus multilocularis transfer RNA-Lys 0.0044 0.0828 0.0828
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0519 0.1606
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0019 0.0019 0.5
Onchocerca volvulus Putative endochitinase 0.0075 0.1821 0.4642
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0519 0.1606
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0519 0.0519
Loa Loa (eye worm) cuticular endochitinase 0.0075 0.1821 0.4662
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Plasmodium falciparum conserved protein, unknown function 0.012 0.3233 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.3206 1
Leishmania major protein kinase, putative 0.0028 0.0304 0.1549
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0519 0.1606
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0028 0.0304 1
Onchocerca volvulus Putative endochitinase 0.0075 0.1821 0.4642
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0026 0.0067
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0519 0.0519
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0519 0.1606
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0114 0.3037 0.7774
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0519 0.133
Echinococcus granulosus aryl hydrocarbon receptor 0.0141 0.3922 0.3922
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Loa Loa (eye worm) hypothetical protein 0.0141 0.3906 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0186 0.5332 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0079 0.1947 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0079 0.1947 1
Echinococcus granulosus Protein patched homolog 1 0.0051 0.1044 0.1044
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0051 0.1044 0.2673
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0079 0.1947 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0967 0.1814
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.1725 0.1725
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0304 0.2784
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0026 0.0026
Loa Loa (eye worm) microfilarial chitinase 0.0073 0.1757 0.4498
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0519 0.0519
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0519 0.0519
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0519 0.0519
Echinococcus multilocularis expressed conserved protein 0.0112 0.2977 0.2977
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0519 0.133
Schistosoma mansoni hypothetical protein 0.0049 0.0985 0.1848
Onchocerca volvulus Putative endochitinase 0.0085 0.2111 0.5387
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0519 0.1606
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0519 0.0974
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0519 0.133
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0028 0.0304 0.2784
Echinococcus multilocularis protein dispatched 1 0.0058 0.1274 0.1274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0519 0.133
Brugia malayi hypothetical protein 0.0028 0.0304 0.0941
Schistosoma mansoni hypothetical protein 0.0049 0.0985 0.1848
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0519 0.0519
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0026 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0519 0.1606
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0519 0.1606
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0026 0.0081
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0519 0.1606
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0028 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.302 0.7732
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0519 0.1606
Trichomonas vaginalis guanylate cyclase, putative 0.0028 0.0304 0.2784
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Trichomonas vaginalis adenylate cyclase, putative 0.0028 0.0304 0.2784
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.0519 0.0519
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0519 0.133
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0545 0.0545
Brugia malayi endochitinase 0.0075 0.1821 0.5633
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0015 0.0037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0026 0.0026
Schistosoma mansoni single-minded 0.0072 0.1714 0.3214
Schistosoma mansoni hypothetical protein 0.0049 0.0985 0.1848
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.4832 0.4832
Brugia malayi isocitrate dehydrogenase 0.0019 0.0026 0.0081
Brugia malayi steroid hormone receptor 0.0035 0.0519 0.1606
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Schistosoma mansoni hypothetical protein 0.012 0.3233 0.6063
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0519 0.0519
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.3206 0.9918
Schistosoma mansoni retinoic acid receptor RXR 0.0131 0.3607 0.6764
Leishmania major protein kinase, putative 0.0028 0.0304 0.1549
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0049 0.0967 0.2476
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Loa Loa (eye worm) hypothetical protein 0.0119 0.3206 0.8209
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0026 0.0026
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0028 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.012 0.3233 0.8277
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.1044 0.2673
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0519 0.0974
Toxoplasma gondii PAN domain-containing protein 0.0291 0.8682 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.0304 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0028 0.0304 0.2784
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0519 0.0519
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.1044 0.1044
Loa Loa (eye worm) hypothetical protein 0.0028 0.0304 0.0779
Onchocerca volvulus 0.0035 0.0519 0.1297
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0519 0.0519
Brugia malayi PAS domain containing protein 0.0072 0.1714 0.5301
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.012 0.3233 0.3233
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0028 0.0304 0.2784
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0028 0.0304 0.2784
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0028 0.0321 0.0821
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0028 0.0304 0.2784
Onchocerca volvulus Putative endochitinase 0.0085 0.2111 0.5387
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0015 0.0037
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0545 0.1022
Schistosoma mansoni hypothetical protein 0.0035 0.0545 0.1022
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0545 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0519 0.1606
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.3206 0.3206
Loa Loa (eye worm) hypothetical protein 0.0062 0.141 0.3609
Brugia malayi bHLH-PAS transcription factor 0.0044 0.0828 0.256
Echinococcus granulosus single minded 2 0.0044 0.0828 0.0828
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1467 0.5715
Brugia malayi hypothetical protein 0.0035 0.0545 0.1686
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0026 0.0013
Onchocerca volvulus 0.0045 0.0844 0.2132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0519 0.133
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0037
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0107 0.2832 0.5
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.012 0.3233 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.4832 0.4832
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.0304 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0079 0.1947 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0131 0.3607 0.3607
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0113 0.3025 0.3025
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0519 0.0974
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0026 0.0049
Mycobacterium tuberculosis Possible chitinase 0.0064 0.1467 0.7504
Schistosoma mansoni patched 1 0.0051 0.1044 0.1958
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1044 1
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0519 0.0974
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0519 0.0974
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0519 0.0974
Schistosoma mansoni coup transcription factor 0.0035 0.0519 0.0974
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0304 0.2784
Brugia malayi nuclear hormone receptor 0.0035 0.0519 0.1606
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0026 0.0026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0519 0.0519
Echinococcus granulosus expressed conserved protein 0.0112 0.2977 0.2977
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0028 0.0304 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0519 0.0974
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.3206 0.3206
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.0519 0.1297
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0028 0.0304 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.1044 0.1044
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133
Brugia malayi Endochitinase 0.0085 0.2111 0.6529
Onchocerca volvulus 0.012 0.3233 0.827
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0519 0.0974
Echinococcus multilocularis tumor protein p63 0.0332 1 1
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0519 0.0974
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0015 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0519 0.133
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0519 0.1606
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0519 0.1606
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0519 0.0974
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.0519 0.1297
Entamoeba histolytica chitinase, putative 0.0075 0.1821 0.4795
Brugia malayi PAN domain containing protein 0.0019 0.0015 0.0045
Loa Loa (eye worm) PAN domain-containing protein 0.0019 0.0015 0.0037
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0026 0.5
Onchocerca volvulus 0.012 0.3233 0.827
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0519 0.1606
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0113 0.302 0.9342
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0519 0.1606
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0304 0.2784
Onchocerca volvulus Putative endochitinase 0.0085 0.2111 0.5387
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0519 0.1606
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.133

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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