Detailed information for compound 1393439

Basic information

Technical information
  • TDR Targets ID: 1393439
  • Name: 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benz oxazol-5-yl)acetamide
  • MW: 363.797 | Formula: C20H14ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 3.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(cc1)Cl)Nc1ccc2c(c1)nc(o2)c1ccncc1
  • InChi: 1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
  • InChiKey: IIDRDWMBFNDXAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenyl)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]acetamide
  • 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)ethanamide
  • STK234855
  • ZINC00755335
  • Oprea1_442397
  • 2-(4-chlorophenyl)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]acetamide
  • MLS000061963
  • SMR000070824

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
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_135311 All targets in OG5_135311
Echinococcus multilocularis NADP dependent 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Echinococcus multilocularis isocitrate dehydrogenase 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
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
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
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Trypanosoma congolense isocitrate dehydrogenase, 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase, 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, 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 berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Echinococcus multilocularis NADP dependent 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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 cruzi isocitrate dehydrogenase, 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
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0073 0.0073
Brugia malayi nuclear receptor NHR-88 0.0021 0.0073 0.0079
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1153 0.1153
Entamoeba histolytica hypothetical protein 0.0043 0.0777 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.1249 0.3824
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0073 0.0079
Brugia malayi nuclear hormone receptor 0.0021 0.0073 0.0079
Onchocerca volvulus 0.0058 0.1249 1
Entamoeba histolytica hypothetical protein 0.0043 0.0777 0.5
Brugia malayi EGF-like domain containing protein 0.0027 0.024 0.0262
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Brugia malayi steroid hormone receptor 0.0021 0.0073 0.0079
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0073 0.0073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0073 0.0073
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0073 0.0223
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1153 0.1153
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0073 0.0079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0073 0.0079
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0073 0.0073
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0073 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0073 0.0079
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0073 0.0079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1153 0.1258
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0073 0.0079
Loa Loa (eye worm) hypothetical protein 0.0106 0.2756 0.3008
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0777 0.2379
Brugia malayi hypothetical protein 0.0286 0.8496 0.9274
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.3265 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0777 0.2379
Schistosoma mansoni cell polarity protein 0.0027 0.024 0.0736
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0073 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0073 0.0079
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0073 0.0223
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0073 0.0223
Echinococcus multilocularis neurogenic locus notch protein 0.0027 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0073 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0073 0.0079
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0306 0.9162 1
Schistosoma mansoni laminin gamma-3 chain 0.0027 0.024 0.0736
Loa Loa (eye worm) hypothetical protein 0.0121 0.3265 0.3564
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.3265 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8496 0.8496
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0073 0.0073
Echinococcus granulosus slit 2 protein 0.0027 0.024 0.024
Echinococcus multilocularis pikachurin 0.0027 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1153 0.3531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1153 0.3531
Schistosoma mansoni coup transcription factor 0.0021 0.0073 0.0223
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0073 0.0073
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1153 0.1153
Schistosoma mansoni chromatin regulatory protein sir2 0.0121 0.3265 1
Entamoeba histolytica hypothetical protein 0.0043 0.0777 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0073 0.0079
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0073 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0073 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0073 0.0079
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0073 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0073 0.0079
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0073 0.0073
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0073 0.0223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0073 0.0223
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0073 0.0223
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Echinococcus multilocularis slit 2 protein 0.0027 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0027 0.024 0.0262
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0 0.5
Brugia malayi hypothetical protein 0.0043 0.0777 0.0848
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0073 0.0073
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0073 0.0223
Entamoeba histolytica hypothetical protein 0.0043 0.0777 0.5
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0121 0.3265 0.5
Brugia malayi laminin alpha chain 0.0027 0.024 0.0262
Loa Loa (eye worm) hypothetical protein 0.0286 0.8496 0.9274
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0073 0.0223
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0073 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0073 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0073 0.0073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0073 0.0079
Loa Loa (eye worm) abnormal epIthelia family member 0.0027 0.024 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0073 0.0079
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0027 0.024 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0073 0.0079
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0073 0.0223
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0121 0.3265 0.3265
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1153 0.3531
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0027 0.024 0.0262
Brugia malayi laminin-like protein K08C7.3 precursor 0.0027 0.024 0.0262
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0027 0.024 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1153 0.1153
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1153 0.1258
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0777 0.0777
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0073 0.0079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0073 0.0073
Brugia malayi NAD-dependent deacetylase SIRT1 0.0121 0.3265 0.3564
Schistosoma mansoni hypothetical protein 0.0058 0.1249 0.3824
Brugia malayi ecdysteroid receptor 0.0021 0.0073 0.0079
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0073 0.0073
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0073 0.0073
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.3265 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0306 0.9162 1
Echinococcus granulosus neurogenic locus notch protein 0.0027 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0027 0.024 0.0262
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0073 0.0223
Schistosoma mansoni slit 0.0027 0.024 0.0736
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1249 0.1363
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8496 0.8496
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0121 0.3265 0.3265
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0073 0.0079
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0073 0.0073
Echinococcus granulosus pikachurin 0.0027 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0079
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0073 0.0223
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.3265 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 9999 um PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 639 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
IC50 (functional) = 4.294 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) = 5.542 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
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 6.3096 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 17.7828 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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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