Detailed information for compound 1311839

Basic information

Technical information
  • TDR Targets ID: 1311839
  • Name: 3-methyl-N-(2,2,4-trimethyl-3H-1-benzofuran-7 -yl)benzenesulfonamide
  • MW: 331.429 | Formula: C18H21NO3S
  • H donors: 1 H acceptors: 2 LogP: 3.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)S(=O)(=O)Nc1ccc(c2c1OC(C2)(C)C)C
  • InChi: 1S/C18H21NO3S/c1-12-6-5-7-14(10-12)23(20,21)19-16-9-8-13(2)15-11-18(3,4)22-17(15)16/h5-10,19H,11H2,1-4H3
  • InChiKey: UJIQPZJUMZYWBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-N-(2,2,4-trimethyl-3H-benzofuran-7-yl)benzenesulfonamide
  • 3-methyl-N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
  • MS-3407
  • SMR000126765
  • MLS000545008
  • ZINC03997670

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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 brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi isocitrate dehydrogenase 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus 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_131570 All targets in OG5_131570
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 congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Echinococcus multilocularis 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis NADP dependent 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1192 0.1236
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0686 0.0901
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0145 0.3731 0.4899
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3718 0.4882
Brugia malayi nuclear hormone receptor 0.0129 0.3265 0.4065
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0274 0.7616 1
Brugia malayi orphan nuclear receptor NR2E1 0.0129 0.3265 0.4065
Loa Loa (eye worm) hypothetical protein 0.0052 0.093 0.1221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0274 0.7616 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4568 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0129 0.3265 0.4065
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0145 0.3731 0.4899
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0129 0.3265 0.4287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0274 0.7616 1
Schistosoma mansoni RAR-like nuclear receptor 0.0274 0.7616 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Schistosoma mansoni hypothetical protein 0.0025 0.013 0.0171
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0274 0.7616 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0129 0.3265 0.4287
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0274 0.7616 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1369
Echinococcus granulosus nuclear receptor nhr 48 0.0129 0.3265 0.4287
Schistosoma mansoni thyroid hormone receptor 0.0274 0.7616 1
Loa Loa (eye worm) nuclear hormone receptor 0.0129 0.3265 0.4287
Brugia malayi Nuclear hormone receptor E75 0.0129 0.3265 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0274 0.7616 1
Brugia malayi nuclear receptor NHR-67 0.0129 0.3265 0.4065
Loa Loa (eye worm) hypothetical protein 0.0145 0.3731 0.4899
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0274 0.7616 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1192 0.1565
Schistosoma mansoni nuclear receptor nhr-48 0.0129 0.3265 0.4287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0274 0.7616 1
Brugia malayi hypothetical protein 0.0145 0.3731 0.47
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0274 0.7616 1
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.3731 0.47
Brugia malayi steroid hormone receptor 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0129 0.3265 0.4065
Schistosoma mansoni nuclear hormone receptor 0.0129 0.3265 0.4287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1042 0.1369
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0145 0.3731 0.4899
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0274 0.7616 1
Brugia malayi hypothetical protein 0.0145 0.3731 0.47
Brugia malayi Bromodomain containing protein 0.0091 0.2105 0.2483
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0686 0.0901
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0274 0.7616 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0274 0.7616 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1042 0.1369
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0274 0.7616 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0129 0.3265 0.4065
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0129 0.3265 0.4287
Loa Loa (eye worm) hypothetical protein 0.0041 0.0619 0.0812
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0129 0.3265 0.4287
Echinococcus granulosus FTZ F1 alpha 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4568 0.5
Brugia malayi nuclear hormone receptor 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1369
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0129 0.3265 0.4287
Loa Loa (eye worm) hypothetical protein 0.0049 0.0861 0.113
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0274 0.7616 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.013 0.0171
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0274 0.7616 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0274 0.7616 1
Brugia malayi Nuclear hormone receptor-like 1 0.0274 0.7616 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.155 0.2035
Echinococcus granulosus zinc finger protein 0.0024 0.0092 0.012
Brugia malayi hypothetical protein 0.0129 0.3265 0.4065
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.3731 0.4899
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0619 0.0454
Onchocerca volvulus Bile acid receptor homolog 0.0274 0.7616 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.155 0.2035
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0274 0.7616 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0274 0.7616 1
Brugia malayi hypothetical protein 0.0129 0.3265 0.4065
Echinococcus granulosus Nuclear hormone receptor HR96 0.0129 0.3265 0.4287
Loa Loa (eye worm) DR-78 0.0129 0.3265 0.4287
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0274 0.7616 1
Schistosoma mansoni nuclear hormone receptor 0.0274 0.7616 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0274 0.7616 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0145 0.3731 0.4899
Schistosoma mansoni nuclear receptor 0.0129 0.3265 0.4287
Echinococcus multilocularis FTZ F1 alpha 0.0274 0.7616 1
Schistosoma mansoni coup transcription factor 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Schistosoma mansoni thyroid hormone receptor 0.0274 0.7616 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1042 0.1369
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0274 0.7616 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0129 0.3265 0.4287
Schistosoma mansoni zinc finger protein 0.0129 0.3265 0.4287
Loa Loa (eye worm) steroid hormone receptor 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1192 0.1565
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0022 0.0029
Brugia malayi ecdysone receptor 0.0129 0.3265 0.4065
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0274 0.7616 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1369
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0274 0.7616 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0274 0.7616 1
Brugia malayi Bromodomain containing protein 0.0046 0.0772 0.0664
Brugia malayi MH2 domain containing protein 0.0144 0.3718 0.4683
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.3731 0.4899
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0199 0.0262
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0129 0.3265 0.4287
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1042 0.1033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0274 0.7616 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0129 0.3265 0.4287
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Brugia malayi conserved hypotetical protein 0.0129 0.3265 0.4065
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.3731 0.47
Echinococcus granulosus ecdysone induced protein 78C 0.0274 0.7616 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0129 0.3265 0.4287
Loa Loa (eye worm) hypothetical protein 0.0085 0.195 0.2561
Loa Loa (eye worm) hypothetical protein 0.0145 0.3731 0.4899
Brugia malayi nuclear hormone receptor family member nhr-6 0.0129 0.3265 0.4065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0274 0.7616 1
Brugia malayi nuclear receptor RXR 0.0129 0.3265 0.4065
Brugia malayi ecdysteroid receptor 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Loa Loa (eye worm) nuclear receptor NHR-67 0.0129 0.3265 0.4287
Brugia malayi nuclear receptor RXR 0.0145 0.3731 0.47
Brugia malayi nuclear receptor NHR-88 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0775 0.1017
Echinococcus multilocularis thyroid hormone receptor alpha 0.0274 0.7616 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3718 0.4882
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0274 0.7616 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0199 0.0262
Loa Loa (eye worm) hypothetical protein 0.0145 0.3731 0.4899
Brugia malayi photoreceptor-specific nuclear receptor 0.0274 0.7616 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0274 0.7616 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0129 0.3265 0.4287
Brugia malayi Nuclear hormone receptor E75 0.0129 0.3265 0.4065
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4568 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0274 0.7616 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0274 0.7616 1
Schistosoma mansoni nuclear hormone receptor 0.0129 0.3265 0.4287
Onchocerca volvulus Protein ultraspiracle homolog 0.0274 0.7616 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1192 0.1236
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0129 0.3265 0.4287
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0274 0.7616 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0274 0.7616 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1042 0.1369
Schistosoma mansoni nuclear receptor 0.0129 0.3265 0.4287
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0145 0.3731 0.4899
Echinococcus granulosus Nuclear hormone receptor HR96 0.0129 0.3265 0.4287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0274 0.7616 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1042 0.1369
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Onchocerca volvulus 0.0274 0.7616 1
Brugia malayi tailless protein 0.0129 0.3265 0.4065
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0274 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.7616 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0199 0.0262
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0274 0.7616 1
Schistosoma mansoni hypothetical protein 0.0041 0.0619 0.0812
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0092 0.012
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0129 0.3265 0.4287
Schistosoma mansoni zinc finger protein 0.0024 0.0092 0.012
Loa Loa (eye worm) hypothetical protein 0.0129 0.3265 0.4287
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.168 0.2206
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0274 0.7616 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0274 0.7616 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.9433 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6681 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 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) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 35.4813 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) 35.4813 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 (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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