Detailed information for compound 1317248

Basic information

Technical information
  • TDR Targets ID: 1317248
  • Name: 2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yl oxyacetyl)amino]ethyl]acetamide
  • MW: 428.48 | Formula: C26H24N2O4
  • H donors: 2 H acceptors: 2 LogP: 4.75 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc2c(c1)cccc2)NCCNC(=O)COc1ccc2c(c1)cccc2
  • InChi: 1S/C26H24N2O4/c29-25(17-31-23-11-9-19-5-1-3-7-21(19)15-23)27-13-14-28-26(30)18-32-24-12-10-20-6-2-4-8-22(20)16-24/h1-12,15-16H,13-14,17-18H2,(H,27,29)(H,28,30)
  • InChiKey: NXYRMNBUIHSSHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-naphthyloxy)-N-[2-[[2-(2-naphthyloxy)acetyl]amino]ethyl]acetamide
  • 2-(2-naphthyloxy)-N-[2-[[2-(2-naphthyloxy)-1-oxoethyl]amino]ethyl]acetamide
  • 2-naphthalen-2-yloxy-N-[2-(2-naphthalen-2-yloxyethanoylamino)ethyl]ethanamide
  • ZINC02131936
  • N,N'-1,2-ethanediylbis[2-(2-naphthyloxy)acetamide]
  • MLS000534009
  • ARONIS022866
  • SMR000141445
  • STK077504
  • 2-(2-naphthyloxy)-N-(2-{[(2-naphthyloxy)acetyl]amino}ethyl)acetamide
  • AN-329/12974613

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor coactivator 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor coactivator 2 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0045 0.0018 0.4301
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0018 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0001 0.0014
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.0398 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0001 0.0026
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0001 0.0027
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0001 0.0014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0017 0.0424
Echinococcus granulosus aryl hydrocarbon receptor 0.0064 0.0032 0.0804
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0001 0.0014
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0001 0.0014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0001 0.0014
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0018 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0041 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0118 0.559
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0001 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0001 0.0027
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0045 0.0018 0.0822
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0018 0.0446
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0044 0.0018 0.081
Schistosoma mansoni inositol monophosphatase 0.0045 0.0018 0.4301
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0001 0.0137
Loa Loa (eye worm) hypothetical protein 0.0044 0.0018 0.0835
Brugia malayi Bromodomain containing protein 0.0046 0.0019 0.0873
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0001 0.0027
Loa Loa (eye worm) hypothetical protein 0.018 0.0118 0.559
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0001 0.0137
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0064 0.0032 0.1514
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.0398 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0094 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0018 0.0835
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Echinococcus multilocularis zinc finger protein 0.0024 0.0002 0.0057
Schistosoma mansoni zinc finger protein 0.0024 0.0002 0.0546
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.0231 0.5803
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0018 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0001 0.0014
Schistosoma mansoni hypothetical protein 0.0025 0.0003 0.0774
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Loa Loa (eye worm) hypothetical protein 0.0064 0.0032 0.1503
Echinococcus granulosus zinc finger protein 0.0024 0.0002 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0001 0.0027
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0085 0.0048 0.2267
Loa Loa (eye worm) hypothetical protein 0.0052 0.0023 0.1081
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0001 0.0014
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0005 0.0123
Echinococcus granulosus muscleblind protein 0.018 0.0118 0.2971
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0001 0.0137
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0046 0.0019 0.0901
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.5
Brugia malayi PHD-finger family protein 0.003 0.0007 0.0306
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0017 0.0424
Loa Loa (eye worm) hypothetical protein 0.0306 0.0211 1
Brugia malayi hypothetical protein 0.0045 0.0018 0.0822
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0005 0.1188
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0005 0.0123
Brugia malayi hypothetical protein 0.0148 0.0094 0.4441
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0045 0.0018 0.0846
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0148 0.0094 0.4455
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0001 0.0014
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0001 0.0137
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0001 0.0137
Echinococcus multilocularis muscleblind protein 0.018 0.0118 0.2971
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0018 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0001 0.0027
Brugia malayi Muscleblind-like protein 0.018 0.0118 0.5579
Echinococcus multilocularis aryl hydrocarbon receptor 0.0064 0.0032 0.0804
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0038 0.0958
Loa Loa (eye worm) hypothetical protein 0.0049 0.0021 0.1001
Brugia malayi hypothetical protein 0.0064 0.0032 0.148
Onchocerca volvulus 0.0064 0.0032 0.3333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0001 0.0027
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0001 0.0137
Loa Loa (eye worm) hypothetical protein 0.0044 0.0018 0.0835
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0001 0.0014
Mycobacterium ulcerans 3-dehydroquinate dehydratase 1.3547 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0003 0.0151
Loa Loa (eye worm) inositol-1 0.0045 0.0018 0.084
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.0231 0.5803
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0045 0.0018 0.0822
Brugia malayi Bromodomain containing protein 0.0091 0.0052 0.2428
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0001 0.0014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0038 0.0958
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0001 0.0014
Onchocerca volvulus Huntingtin homolog 0.0148 0.0094 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0044 0.0018 0.0835
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0001 0.0027
Echinococcus granulosus neuropeptide s receptor 0.0558 0.0398 1
Schistosoma mansoni coup transcription factor 0.0021 0.0001 0.0137
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 1.3547 1 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0001 0.0137
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.0398 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0001 0.0014
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0001 0.0137
Brugia malayi photoreceptor-specific nuclear receptor 0.0306 0.0211 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0118 0.2971
Brugia malayi Inositol-1 0.0045 0.0018 0.0815
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0018 0.0446
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0001 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0001 0.0027
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0001 0.0014
Brugia malayi hypothetical protein 0.0044 0.0018 0.081
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0001 0.0137
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0045 0.0018 0.4332
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0027
Onchocerca volvulus Protein cycle homolog 0.0045 0.0018 0.185
Loa Loa (eye worm) hypothetical protein 0.0148 0.0094 0.4455
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0001 0.0137
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0001 0.0137

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 8.382 uM PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1300, AID1808, AID504735, AID631] ChEMBL. No reference
EC50 (functional) = 8.671 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1297, 1032 ] ChEMBL. No reference
EC50 (functional) = 47.76 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1301 (Confirmation screen.), 1048 (Primary screen.)] ChEMBL. No reference
EC50 (functional) = 999 um PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of placental alkaline phosphatase. (Class of assay: confirmatory) [Related pubchem assays: 518 ] ChEMBL. No reference
IC50 (functional) = 4.745 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) = 5.817 um PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) = 999 um PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of placental alkaline phosphatase. (Class of assay: confirmatory) [Related pubchem assays: 1512, 518 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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