Detailed information for compound 1341180

Basic information

Technical information
  • TDR Targets ID: 1341180
  • Name: 2-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]-met hylamino]-N-(2,3,4-trifluorophenyl)acetamide
  • MW: 385.768 | Formula: C17H15ClF3N3O2
  • H donors: 2 H acceptors: 2 LogP: 3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC(=O)Nc1ccc(c(c1F)F)F)CC(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C17H15ClF3N3O2/c1-24(8-14(25)22-11-4-2-10(18)3-5-11)9-15(26)23-13-7-6-12(19)16(20)17(13)21/h2-7H,8-9H2,1H3,(H,22,25)(H,23,26)
  • InChiKey: QMFPEZRBXTZZRS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3,4-trifluorophenyl)acetamide
  • 2-[[2-[(4-chlorophenyl)amino]-2-keto-ethyl]-methyl-amino]-N-(2,3,4-trifluorophenyl)acetamide
  • 2-[[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3,4-trifluorophenyl)ethanamide
  • T5759999
  • MLS000389207
  • SMR000255480

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi 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
Echinococcus granulosus NADP dependent 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent 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 congolense 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase, 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Trypanosoma cruzi isocitrate dehydrogenase, putative 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
Brugia malayi 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA binding protein 0.0076 0.4963 0.4963
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.1384
Brugia malayi isocitrate dehydrogenase 0.0019 0.0689 0.0689
Echinococcus multilocularis ferritin 0.001 0.0031 0.0062
Brugia malayi nuclear receptor NHR-88 0.0012 0.0177 0.0177
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0177 0.0357
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0689 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0177 0.0177
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0689 0.1388
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.375 0.375
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0687 0.1384
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0177 0.0177
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0689 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0687 0.1384
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0177 0.0357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0177 0.0177
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4963 0.4963
Loa Loa (eye worm) hypothetical protein 0.006 0.375 0.375
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0687 0.0687
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0177 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0177 0.0177
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0177 0.0357
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0177 0.0357
Schistosoma mansoni ferritin light chain 0.001 0.0031 0.0062
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0689 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0177 0.0177
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0177 0.0357
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0177 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0689 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0689 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.375 0.375
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4963 0.4963
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0177 0.0357
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0177 0.0177
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0177 0.0357
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0177 0.0357
Echinococcus multilocularis GPCR, family 2 0.0019 0.0687 0.1384
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.375 0.375
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0687 0.1384
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0177 0.0357
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0689 0.1388
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0177 0.0177
Onchocerca volvulus 0.0012 0.0177 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.1384
Schistosoma mansoni ferritin 0.001 0.0031 0.0062
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0177 0.0357
Schistosoma mansoni ferritin light chain 0.001 0.0031 0.0062
Loa Loa (eye worm) hypothetical protein 0.0041 0.2332 0.2332
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0177 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0177 0.0357
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0177 0.0177
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0689 0.1388
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0.0031 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.2332 0.4699
Echinococcus granulosus expressed protein 0.001 0.0031 0.0062
Schistosoma mansoni coup transcription factor 0.0012 0.0177 0.0357
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0687 0.1384
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0177 0.0177
Loa Loa (eye worm) RNA binding protein 0.0076 0.4963 0.4963
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0177 0.0177
Echinococcus granulosus ferritin 0.001 0.0031 0.0062
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0689 0.1388
Echinococcus granulosus tar DNA binding protein 0.0076 0.4963 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0177 0.0177
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0689 0.1388
Schistosoma mansoni apoferritin-2 0.001 0.0031 0.0062
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0177 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0177 0.0177
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0689 0.5
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0689 0.0689
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0177 0.0357
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.1384
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4963 0.4963
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0177 0.0357
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0177 0.0177
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0177 0.0357
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0177 0.0357
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0177 0.0177
Schistosoma mansoni ferritin 0.001 0.0031 0.0062
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0689 0.0689
Brugia malayi steroid hormone receptor 0.0012 0.0177 0.0177
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0689 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0177 0.0357
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0177 0.0357
Brugia malayi ecdysteroid receptor 0.0012 0.0177 0.0177
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0177 0.0357
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0689 0.1388
Schistosoma mansoni ferritin 0.001 0.0031 0.0062
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0177 0.0357
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0177 0.0357
Schistosoma mansoni ferritin 0.001 0.0031 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0687 0.0687
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0177 0.0357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Echinococcus multilocularis expressed protein 0.001 0.0031 0.0062
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4963 1
Schistosoma mansoni apoferritin-2 0.001 0.0031 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0177 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2332 0.2332
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0687 0.0687
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0031 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.0177 0.0177
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0.0031 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0177 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0177 0.0357
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0177 0.0357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0689 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0177 0.0357
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0687 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0177 0.0177
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0177 0.0357
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0177 0.0357
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0689 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0177 0.0177
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0177 0.0357
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0177 0.0357
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0177 0.0357
Brugia malayi TAR-binding protein 0.0076 0.4963 0.4963
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0177 0.0357
Trichomonas vaginalis ferritin, putative 0.001 0.0031 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0689 0.1388
Echinococcus granulosus GPCR family 2 0.0019 0.0687 0.1384
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.1384
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0031 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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 for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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