Detailed information for compound 1428466

Basic information

Technical information
  • TDR Targets ID: 1428466
  • Name: 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-y lmethyl)naphthalen-2-yl]oxyethanone
  • MW: 402.486 | Formula: C25H26N2O3
  • H donors: 0 H acceptors: 1 LogP: 3.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c1cccc2)COc1ccc2c(c1CN1CCOCC1)cccc2
  • InChi: 1S/C25H26N2O3/c28-25(27-12-11-20-6-2-4-8-23(20)27)18-30-24-10-9-19-5-1-3-7-21(19)22(24)17-26-13-15-29-16-14-26/h1-10H,11-18H2
  • InChiKey: KVDBTBJQFSNUSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-indolin-1-yl-2-[[1-(morpholinomethyl)-2-naphthyl]oxy]ethanone
  • 1-(1-indolinyl)-2-[[1-(morpholinomethyl)-2-naphthyl]oxy]ethanone
  • 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxy-ethanone
  • T5223173
  • MLS000058018
  • SMR000063037

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, 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 ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Isocitrate dehydrogenase 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 multilocularis 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans N terminus of cytosolic 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni NADP-specific 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi isocitrate dehydrogenase, 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 1 1
Brugia malayi nuclear receptor NHR-67 0.003 0.2484 0.2484
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8012 0.8012
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.5667 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.5667 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8012 0.8012
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0064 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8012 0.8012
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.3289 0.3289
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.3289 0.3289
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0064 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8012 0.8012
Loa Loa (eye worm) steroid hormone receptor 0.0064 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear receptor nhr-7B 0.003 0.2484 0.2484
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.003 0.2484 0.2484
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0034 0.3289 0.3289
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8012 0.8012
Brugia malayi nuclear hormone receptor family member odr-7 0.003 0.2484 0.2484
Brugia malayi nuclear hormone receptor family member nhr-6 0.003 0.2484 0.2484
Brugia malayi steroid hormone receptor 0.0064 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.003 0.2484 0.2484
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0064 1 1
Brugia malayi hypothetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.0034 0.3289 0.3289
Echinococcus multilocularis FTZ F1 alpha 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.3289 0.3289
Brugia malayi tailless protein 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.5667 0.5667
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5667 0.5667
Onchocerca volvulus Bile acid receptor homolog 0.0064 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor 0.003 0.2484 0.2484
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5667 0.5667
Schistosoma mansoni zinc finger protein 0.003 0.2484 0.2484
Echinococcus multilocularis thyroid hormone receptor alpha 0.0064 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5667 0.5667
Loa Loa (eye worm) DR-78 0.003 0.2484 0.2484
Brugia malayi hypothetical protein 0.003 0.2484 0.2484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8012 0.8012
Echinococcus multilocularis ecdysone induced protein 78C 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.5667 0.5667
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0064 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8012 0.8012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0064 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5667 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.003 0.2484 0.2484
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0034 0.3289 0.3289
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5667 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.5667 0.5667
Brugia malayi hypothetical protein 0.0034 0.3289 0.3289
Onchocerca volvulus 0.0064 1 1
Schistosoma mansoni nuclear receptor 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0 0.5
Brugia malayi ecdysone receptor 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0034 0.3289 0.3289
Schistosoma mansoni nuclear hormone receptor 0.0064 1 1
Schistosoma mansoni nuclear receptor 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0064 1 1
Brugia malayi nuclear receptor RXR 0.0034 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.003 0.2484 0.2484
Schistosoma mansoni nuclear hormone receptor 0.003 0.2484 0.2484
Schistosoma mansoni retinoic acid receptor RXR 0.0064 1 1
Brugia malayi nuclear hormone receptor 0.003 0.2484 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.003 0.2484 0.2484
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5667 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Schistosoma mansoni coup transcription factor 0.0064 1 1
Brugia malayi hypothetical protein 0.0034 0.3289 0.3289
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 1 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5667 0.5667
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.003 0.2484 0.2484
Brugia malayi nuclear receptor NHR-88 0.0064 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0064 1 1
Brugia malayi nuclear hormone receptor 0.0064 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.003 0.2484 0.2484
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.5667 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0034 0.3289 0.3289
Brugia malayi Nuclear hormone receptor E75 0.003 0.2484 0.2484
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5667 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.003 0.2484 0.2484
Schistosoma mansoni thyroid hormone receptor 0.0064 1 1
Schistosoma mansoni thyroid hormone receptor 0.0064 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.5667 0.5667
Brugia malayi Nuclear hormone receptor E75 0.003 0.2484 0.2484
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.3289 0.3289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8012 0.8012
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5667 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8012 0.8012
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0064 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.2484 0.2484
Echinococcus granulosus thyroid hormone receptor alpha 0.003 0.2484 0.2484
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.5667 0.5667
Loa Loa (eye worm) hypothetical protein 0.0034 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 1 1
Brugia malayi nuclear receptor NHR-88 0.003 0.2484 0.2484
Schistosoma mansoni RAR-like nuclear receptor 0.0064 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.3289 0.3289
Brugia malayi Nuclear hormone receptor-like 1 0.0064 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 1 1
Schistosoma mansoni nuclear hormone receptor 0.003 0.2484 0.2484
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 1 1
Brugia malayi nuclear receptor RXR 0.003 0.2484 0.2484
Brugia malayi orphan nuclear receptor NR2E1 0.003 0.2484 0.2484
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.5667 0.5667
Brugia malayi Steroid receptor seven-up type 2 0.0064 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.003 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.003 0.2484 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0064 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0064 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.5667 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.2484 0.2484
Brugia malayi conserved hypotetical protein 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.003 0.2484 0.2484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0064 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0064 1 1
Echinococcus granulosus FTZ F1 alpha 0.0064 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0064 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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 Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 14.581 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 32.6427 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) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.