Detailed information for compound 1867065

Basic information

Technical information
  • TDR Targets ID: 1867065
  • Name: N-[(2S)-4-(4-cyclohexyl-1-azoniabicyclo[2.2.2 ]octan-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-m ethyl-3,5-bis(trifluoromethyl)benzamide; meth anesulfonate
  • MW: 759.67 | Formula: C34H42Cl2F6N2O4S
  • H donors: 1 H acceptors: 4 LogP: 9.15 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-]S(=O)(=O)C.CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C[C@H](c1ccc(c(c1)Cl)Cl)CC[N+]12CCC(CC1)(CC2)C1CCCCC1
  • InChi: 1S/C33H39Cl2F6N2O.CH4O3S/c1-42(30(44)24-17-26(32(36,37)38)20-27(18-24)33(39,40)41)21-23(22-7-8-28(34)29(35)19-22)9-13-43-14-10-31(11-15-43,12-16-43)25-5-3-2-4-6-25;1-5(2,3)4/h7-8,17-20,23,25H,2-6,9-16,21H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t23-,31?,43?;/m1./s1
  • InChiKey: JEJYYKZPVIEEAS-MWLZSUMNSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2S)-4-(4-cyclohexylquinuclidin-1-ium-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide; methanesulfonate
  • N-[(2S)-4-(4-cyclohexyl-1-quinuclidin-1-iumyl)-2-(3,4-dichlorophenyl)butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide; methanesulfonate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pyruvate kinase-PB 0.0019 0.056 0.0734
Brugia malayi beta-lactamase family protein 0.0023 0.0797 0.1135
Schistosoma mansoni jun-related protein 0.0082 0.3948 1
Schistosoma mansoni chromobox protein 0.0047 0.2057 0.5152
Brugia malayi beta-lactamase family protein 0.0023 0.0797 0.1135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0025 0.09 0.2185
Schistosoma mansoni hypothetical protein 0.0013 0.0275 0.0582
Schistosoma mansoni lipoxygenase 0.0079 0.3779 0.9567
Echinococcus granulosus pyruvate kinase 0.0014 0.0299 0.0511
Trichomonas vaginalis chromobox protein, putative 0.0028 0.107 0.0975
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0011 0.0134 0.0176
Trichomonas vaginalis chromobox protein, putative 0.0047 0.2057 0.1972
Echinococcus multilocularis GPCR, family 2 0.0011 0.0134 0.0176
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0028 0.107 0.1024
Echinococcus granulosus pyruvate kinase 0.0027 0.0989 0.1917
Loa Loa (eye worm) heterochromatin protein 1 0.0047 0.2057 0.288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Brugia malayi Pre-SET motif family protein 0.014 0.7024 1
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.1719 0.2396
Trypanosoma brucei pyruvate kinase 1, putative 0.0027 0.0989 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0011 0.0134 0.0176
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0797 0.7315
Brugia malayi CHD4 protein 0.0009 0.0048 0.0068
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0663 0.1253
Echinococcus granulosus Polycystic kidney disease protein 0.0013 0.0275 0.0462
Loa Loa (eye worm) hypothetical protein 0.0013 0.0275 0.0325
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Brugia malayi PHD-finger family protein 0.002 0.0611 0.087
Echinococcus multilocularis chromobox protein 1 0.0047 0.2057 0.4093
Loa Loa (eye worm) hypothetical protein 0.0034 0.1355 0.1873
Trypanosoma cruzi pyruvate kinase 2, putative 0.0027 0.0989 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.002 0.0611 0.1148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0067 0.3147 0.6313
Echinococcus granulosus peregrin 0.002 0.0611 0.1148
Echinococcus multilocularis peregrin 0.002 0.0611 0.1148
Brugia malayi Latrophilin receptor protein 2 0.0011 0.0134 0.0191
Echinococcus multilocularis pyruvate kinase 0.0027 0.0989 0.1917
Schistosoma mansoni hypothetical protein 0.0082 0.3948 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0067 0.3147 0.7945
Echinococcus granulosus chromobox protein 1 0.0047 0.2057 0.4093
Schistosoma mansoni hypothetical protein 0.0011 0.0134 0.0221
Schistosoma mansoni hypothetical protein 0.002 0.0611 0.1445
Treponema pallidum fructose-bisphosphate aldolase 0.0196 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0011 0.0134 0.0191
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0011 0.0134 0.0176
Toxoplasma gondii histone lysine methyltransferase SET1 0.0044 0.1922 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0797 0.1921
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0797 0.1921
Brugia malayi Calcitonin receptor-like protein seb-1 0.0033 0.135 0.1922
Giardia lamblia Fructose-bisphosphate aldolase 0.0196 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0013 0.0275 0.0462
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0011 0.0134 0.0124
Brugia malayi bZIP transcription factor family protein 0.0101 0.4957 0.7058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0033 0.135 0.1922
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0558 0.0456
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0067 0.3147 0.6313
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0025 0.09 0.2185
Schistosoma mansoni hypothetical protein 0.0011 0.0134 0.0221
Echinococcus granulosus lipoxygenase domain containing protein 0.0013 0.0275 0.0462
Trichomonas vaginalis chromobox protein, putative 0.0028 0.107 0.0975
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0663 0.1578
Leishmania major pyruvate kinase 0.0027 0.0989 1
Loa Loa (eye worm) doublecortin family protein 0.0013 0.0275 0.0325
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0021 0.0663 0.2244
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Plasmodium vivax pyruvate kinase, putative 0.0027 0.0989 1
Onchocerca volvulus 0.0023 0.0797 0.0672
Loa Loa (eye worm) hypothetical protein 0.002 0.0611 0.0808
Brugia malayi hypothetical protein 0.008 0.3801 0.5411
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0254 0.015
Brugia malayi Pyruvate kinase, muscle isozyme 0.0027 0.0989 0.1407
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0011 0.0134 0.0176
Brugia malayi Pyruvate kinase, M2 isozyme 0.0027 0.0989 0.1407
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0134 0.0124
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0147 0.7403 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0067 0.3147 0.4443
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.2978 0.5969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0067 0.3147 0.7945
Echinococcus multilocularis pyruvate kinase 0.0021 0.069 0.1308
Echinococcus granulosus pyruvate kinase 0.0027 0.0989 0.1917
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0965 0.0868
Plasmodium falciparum phd finger protein, putative 0.002 0.0611 0.4717
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0027 0.0989 0.029
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Schistosoma mansoni hypothetical protein 0.0023 0.0787 0.1896
Echinococcus multilocularis lipoxygenase domain containing protein 0.0013 0.0275 0.0462
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.4957 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0253 0.0528
Schistosoma mansoni lipoxygenase 0.0055 0.2513 0.6321
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0611 0.1926
Toxoplasma gondii pyruvate kinase PyK1 0.0027 0.0989 0.4249
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0323 0.046
Echinococcus multilocularis RUN 0.0013 0.0275 0.0462
Mycobacterium leprae Probable pyruvate kinase PykA 0.0027 0.0989 0.0495
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Echinococcus multilocularis cpg binding protein 0.0024 0.0861 0.1657
Plasmodium falciparum pyruvate kinase 2 0.0014 0.0299 0.0336
Echinococcus granulosus cpg binding protein 0.0024 0.0861 0.1657
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0067 0.3147 0.7945
Loa Loa (eye worm) hypothetical protein 0.0021 0.0663 0.0882
Brugia malayi CXXC zinc finger family protein 0.0023 0.0791 0.1127
Schistosoma mansoni hypothetical protein 0.0011 0.0134 0.0221
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0023 0.0797 0.1135
Loa Loa (eye worm) CXXC zinc finger family protein 0.0023 0.0791 0.1066
Loa Loa (eye worm) hypothetical protein 0.0023 0.0787 0.106
Onchocerca volvulus Pyruvate kinase homolog 0.0027 0.0989 0.0918
Echinococcus multilocularis jumonji domain containing protein 0.0027 0.1019 0.1978
Brugia malayi jmjC domain containing protein 0.0025 0.09 0.1281
Chlamydia trachomatis pyruvate kinase 0.0027 0.0989 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0797 0.0698
Schistosoma mansoni cpg binding protein 0.0024 0.0861 0.2085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.4957 1
Brugia malayi Doublecortin family protein 0.0013 0.0275 0.0391
Schistosoma mansoni cpg binding protein 0.0023 0.0791 0.1907
Echinococcus granulosus beta LACTamase domain containing family member 0.0023 0.0797 0.1526
Brugia malayi Pre-SET motif family protein 0.0021 0.0663 0.0944
Onchocerca volvulus 0.0023 0.0797 0.0672
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Brugia malayi latrophilin 2 splice variant baaae 0.0023 0.0787 0.1121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Echinococcus granulosus pyruvate kinase 0.0014 0.0299 0.0511
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0196 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0663 0.1253
Brugia malayi jmjC domain containing protein 0.0064 0.2978 0.424
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0021 0.0663 0.1253
Echinococcus multilocularis chromobox protein 1 0.0047 0.2057 0.4093
Loa Loa (eye worm) pyruvate kinase 0.0027 0.0989 0.1349
Schistosoma mansoni cpg binding protein 0.0024 0.0861 0.2085
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.001 0.0126 0.002
Loa Loa (eye worm) pyruvate kinase 0.0027 0.0989 0.1349
Mycobacterium ulcerans pyruvate kinase 0.0027 0.0989 0.0495
Echinococcus multilocularis beta LACTamase domain containing family member 0.0023 0.0797 0.1526
Onchocerca volvulus 0.016 0.805 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0096 0.4666 1
Onchocerca volvulus 0.0021 0.0664 0.05
Echinococcus multilocularis pyruvate kinase 0.0014 0.0299 0.0511
Brugia malayi hypothetical protein 0.0013 0.0275 0.0391
Schistosoma mansoni pyruvate kinase 0.0014 0.0299 0.0644
Brugia malayi SET domain containing protein 0.0009 0.0044 0.0062
Onchocerca volvulus 0.0023 0.0791 0.0665
Onchocerca volvulus Alhambra homolog 0.002 0.0611 0.0433
Toxoplasma gondii ABC1 family protein 0.0023 0.0797 0.3069
Echinococcus granulosus GPCR family 2 0.0011 0.0134 0.0176
Loa Loa (eye worm) hypothetical protein 0.0021 0.0664 0.0883
Plasmodium falciparum pyruvate kinase 0.0027 0.0989 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0797 0.0698
Echinococcus multilocularis Polycystic kidney disease protein 0.0013 0.0275 0.0462
Loa Loa (eye worm) hypothetical protein 0.0027 0.0989 0.1349
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Trichomonas vaginalis set domain proteins, putative 0.016 0.805 0.8029
Onchocerca volvulus 0.008 0.3801 0.4535
Echinococcus multilocularis lipoxygenase domain containing protein 0.0013 0.0275 0.0462
Brugia malayi chromobox protein homolog 3 0.0026 0.0965 0.1373
Loa Loa (eye worm) hypothetical protein 0.0033 0.135 0.1867
Giardia lamblia PHD finger protein 15 0.002 0.0611 0.0322
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0019 0.0597 0.1119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0196 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0024 0.083 0.1594
Trypanosoma brucei pyruvate kinase 1 0.0027 0.0989 1
Plasmodium vivax pyruvate kinase 2, putative 0.0014 0.0299 0.0336
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.2978 0.5969
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0663 0.1578
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0254 0.015
Echinococcus granulosus jumonji domain containing protein 0.0027 0.1019 0.1978
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0254 0.015
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0558 0.0456
Onchocerca volvulus Pyruvate kinase homolog 0.0027 0.0989 0.0918
Brugia malayi hypothetical protein 0.0013 0.0275 0.0391
Trichomonas vaginalis chromobox protein, putative 0.0047 0.2057 0.1972
Echinococcus granulosus lysine specific demethylase 5A 0.0025 0.09 0.1736
Echinococcus granulosus jun protein 0.0101 0.4957 1
Schistosoma mansoni pyruvate kinase 0.0027 0.0989 0.2412
Echinococcus granulosus pyruvate kinase 0.0014 0.0299 0.0511
Trypanosoma cruzi pyruvate kinase 2, putative 0.0027 0.0989 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0611 0.0808
Loa Loa (eye worm) hypothetical protein 0.0099 0.481 0.6826
Loa Loa (eye worm) hypothetical protein 0.0026 0.0965 0.1315
Brugia malayi Bromodomain containing protein 0.002 0.0611 0.087
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0079 0.3779 0.7601
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0023 0.0797 0.1074
Schistosoma mansoni loxhd1 0.0013 0.0275 0.0582
Onchocerca volvulus 0.0023 0.0797 0.0672
Loa Loa (eye worm) hypothetical protein 0.0019 0.056 0.0734
Schistosoma mansoni jumonji domain containing protein 0.0051 0.2278 0.5718
Loa Loa (eye worm) beta-lactamase 0.0023 0.0797 0.1074
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Schistosoma mansoni chromobox protein 0.0047 0.2057 0.5152
Leishmania major pyruvate kinase 0.0027 0.0989 1
Onchocerca volvulus 0.0028 0.107 0.1023
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0049 0.2199 0.5515
Loa Loa (eye worm) hypothetical protein 0.0013 0.0275 0.0325
Echinococcus multilocularis pyruvate kinase 0.0027 0.0989 0.1917
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0126 0.002
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0797 0.0698
Schistosoma mansoni rab6-interacting 0.0013 0.0275 0.0582
Echinococcus multilocularis pyruvate kinase 0.0014 0.0299 0.0511
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0026 0.0965 0.0887
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0965 0.0868
Giardia lamblia Pyruvate kinase 0.0027 0.0989 0.0711
Echinococcus multilocularis pyruvate kinase 0.0014 0.0299 0.0511
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0067 0.3147 0.6313
Echinococcus granulosus RUN 0.0013 0.0275 0.0462
Schistosoma mansoni polycystin 1-related 0.0013 0.0275 0.0582
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.107 0.2621
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0797 0.0698
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.002 0.0611 0.1445
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0079 0.3779 0.7601
Schistosoma mansoni pyruvate kinase 0.0027 0.0989 0.2412
Brugia malayi Heterochromatin protein 1 0.0047 0.2057 0.2929
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0611 0.1926
Echinococcus granulosus chromobox protein 1 0.0047 0.2057 0.4093
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0663 0.1578
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0067 0.3147 0.6313
Trichomonas vaginalis esterase, putative 0.0023 0.0797 0.0698
Plasmodium vivax SET domain protein, putative 0.0021 0.0663 0.5439
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0096 0.4666 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.014 0.7024 1
Onchocerca volvulus Pyruvate kinase homolog 0.0027 0.0989 0.0918
Plasmodium vivax hypothetical protein, conserved 0.002 0.0611 0.4717
Echinococcus granulosus PHD finger protein rhinoceros 0.002 0.0611 0.1148
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0096 0.4666 0.5857
Trichomonas vaginalis pyruvate kinase, putative 0.0027 0.0989 0.0892
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0797 0.0698
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0067 0.3147 0.448
Loa Loa (eye worm) pyruvate kinase 0.0027 0.0989 0.1349
Brugia malayi beta-lactamase 0.0023 0.0797 0.1135
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.09 0.1222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0033 0.135 0.1867
Trichomonas vaginalis pyruvate kinase, putative 0.0027 0.0989 0.0892
Echinococcus multilocularis jun protein 0.0101 0.4957 1
Schistosoma mansoni hypothetical protein 0.0011 0.0134 0.0221
Loa Loa (eye worm) hypothetical protein 0.0023 0.0797 0.1074
Schistosoma mansoni rab6-interacting 0.0013 0.0275 0.0582

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.3739 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.8724 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.5412 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.6379 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 38.8952 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 48.9662 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 54.4827 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 54.941 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 54.941 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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