Detailed information for compound 1317009

Basic information

Technical information
  • TDR Targets ID: 1317009
  • Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo piperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
  • MW: 393.452 | Formula: C20H28FN3O4
  • H donors: 2 H acceptors: 2 LogP: 0.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)F)CN1CCNC(=O)C1CC(=O)NCC1CCOCC1
  • InChi: 1S/C20H28FN3O4/c1-27-16-3-2-15(17(21)10-16)13-24-7-6-22-20(26)18(24)11-19(25)23-12-14-4-8-28-9-5-14/h2-3,10,14,18H,4-9,11-13H2,1H3,(H,22,26)(H,23,25)
  • InChiKey: MWUAUMBUUURTNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide
  • 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazinyl]-N-(4-tetrahydropyranylmethyl)acetamide
  • 2-[1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide
  • 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(oxan-4-ylmethyl)ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.0075 0.0842 0.4666
Schistosoma mansoni dihydroorotate dehydrogenase 0.0509 0.6239 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0075 0.0842 0.4666
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0033 0.0053
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1702 0.9623
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0842 0.1194
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.0428
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0509 0.6239 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0033 0.0138
Loa Loa (eye worm) glutamate receptor 2 0.0019 0.0152 0.0685
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0394 0.0631
Brugia malayi Zinc finger, C2H2 type family protein 0.0199 0.2382 0.3785
Echinococcus granulosus glutamate NMDA receptor subunit 0.0073 0.0814 0.3419
Echinococcus granulosus glutamate receptor 2 0.0023 0.0197 0.0829
Schistosoma mansoni smad1 5 8 and 0.001 0.0033 0.0053
Schistosoma mansoni thyroid hormone receptor 0.001 0.0033 0.0053
Schistosoma mansoni hypothetical protein 0.0034 0.0335 0.0537
Brugia malayi beta-lactamase family protein 0.0075 0.0842 0.1304
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0111 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0033 0.0000059451
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0033 0.0053
Loa Loa (eye worm) hypothetical protein 0.0075 0.0842 0.4666
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0199 0.2382 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0199 0.2382 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0033 0.0053
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0111 0.0111
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0842 0.1304
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0712 0.3915
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0199 0.2382 1
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0172
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0033 0.0053
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0018
Schistosoma mansoni glutamate receptor kainate 0.0019 0.0152 0.0243
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0033 0.0000059451
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0509 0.6239 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0531 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0033 0.0000059451
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0172
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0033 0.0053
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0018 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0842 0.135
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0842 0.1194
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0172
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0107 0.012
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0842 0.3512
Echinococcus granulosus tar DNA binding protein 0.0064 0.0712 0.2989
Schistosoma mansoni smad1 5 8 and 0.001 0.0033 0.0053
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0107 0.012
Schistosoma mansoni thyroid hormone receptor 0.001 0.0033 0.0053
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0509 0.6239 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0033 0.0000059451
Onchocerca volvulus 0.0075 0.0842 0.4665
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0199 0.2382 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0509 0.6239 0.5
Mycobacterium tuberculosis Conserved protein 0.0075 0.0842 0.1194
Onchocerca volvulus 0.0075 0.0842 0.4665
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0033 0.0033
Echinococcus granulosus FTZ F1 alpha 0.001 0.0033 0.0138
Brugia malayi beta-lactamase 0.0075 0.0842 0.1304
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0531 0.0803
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0727 0.1006
Echinococcus multilocularis GPCR, family 2 0.0016 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0149 0.1767 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0033 0.0000059451
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0712 0.1094
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0842 0.1194
Echinococcus multilocularis glutamate receptor 2 0.0023 0.0197 0.0197
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0842 0.1194
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0111 0.0448
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0712 0.1141
Brugia malayi nuclear receptor NHR-88 0.001 0.0033 0.0000059451
Mycobacterium tuberculosis Conserved protein 0.0075 0.0842 0.1194
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0111 0.0111
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0342 0.1781
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0842 0.0842
Loa Loa (eye worm) hypothetical protein 0.005 0.0531 0.2872
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0033 0.0000059451
Echinococcus multilocularis glutamate receptor 2 0.0016 0.0108 0.0108
Schistosoma mansoni glutamate receptor AMPA 0.0019 0.0152 0.0243
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0033 0.0053
Brugia malayi hypothetical protein 0.0039 0.0394 0.0582
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0033 0.0033
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0023 0.0197 0.0197
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0111 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0033 0.0000059451
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0033 0.0033
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0842 0.3512
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0033 0.0138
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0107 0.0107
Brugia malayi isocitrate dehydrogenase 0.0016 0.0111 0.0125
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0197 0.0197
Schistosoma mansoni hypothetical protein 0.017 0.2019 0.3236
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0712 0.1141
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0509 0.6239 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0033 0.0138
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0712 0.0712
Leishmania major dihydroorotate dehydrogenase 0.0509 0.6239 1
Schistosoma mansoni coup transcription factor 0.001 0.0033 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0842 0.3512
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0509 0.6239 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0842 0.3512
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0033 0.0000059451
Mycobacterium tuberculosis Conserved protein 0.0075 0.0842 0.1194
Brugia malayi RNA binding protein 0.0064 0.0712 0.1094
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0842 0.3535
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0033 0.0000059451
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0842 0.1194
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0712 0.1141
Schistosoma mansoni glutamate receptor NMDA 0.0073 0.0814 0.1305
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0842 0.4666
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0842 0.1194
Schistosoma mansoni glutamate receptor kainate 0.0019 0.0152 0.0243
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0033 0.0033
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0509 0.6239 1
Brugia malayi beta-lactamase family protein 0.0075 0.0842 0.1304
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0111 0.0111
Brugia malayi nuclear hormone receptor 0.001 0.0033 0.0000059451
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0185
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0394 0.0394
Brugia malayi TAR-binding protein 0.0064 0.0712 0.1094
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0842 0.1194
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0479 0.5861 0.9382
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0044
Echinococcus multilocularis smad 0.001 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0172
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0033 0.0033
Trichomonas vaginalis esterase, putative 0.0075 0.0842 0.3512
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0033 0.0000059451
Schistosoma mansoni glutamate receptor NMDA 0.0023 0.0197 0.0316
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0197 0.0197
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0111 0.0177
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0197 0.0829
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0199 0.2382 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0825 0.1322
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0842 0.1194
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0073 0.0814 0.0814
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0842 0.1194
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0197 0.0197
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0033 0.0138
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0842 0.3512
Schistosoma mansoni cpg binding protein 0.0037 0.0366 0.0587
Brugia malayi steroid hormone receptor 0.001 0.0033 0.0000059451
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0018 0.0075
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0033 0.0053
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0199 0.2382 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0509 0.6239 1
Brugia malayi hypothetical protein 0.0149 0.1767 0.2795
Schistosoma mansoni hypothetical protein 0.017 0.2019 0.3236
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0842 0.135
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0197 0.0829
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0509 0.6239 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0107 0.045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0033 0.0138
Echinococcus granulosus geminin 0.017 0.2019 0.8477
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Echinococcus granulosus GPCR family 2 0.0016 0.0107 0.045
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0107 0.0107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0033 0.0033
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0044 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0712 0.1141
Schistosoma mansoni cpg binding protein 0.0037 0.0366 0.0587
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0712 0.1141
Echinococcus granulosus Smad4 0.001 0.0033 0.0138
Loa Loa (eye worm) beta-lactamase 0.0075 0.0842 0.4666
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0033 0.0138
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0842 0.1194
Onchocerca volvulus 0.0075 0.0842 0.4665
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0033 0.0000059451
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0712 0.3915
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0509 0.6239 1
Echinococcus multilocularis Smad4 0.001 0.0033 0.0033
Schistosoma mansoni glutamate receptor AMPA 0.0019 0.0152 0.0243
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0033 0.0033
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0509 0.6239 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0107 0.0428
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0199 0.2382 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0509 0.6239 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0394 0.1653
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0107 0.045
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0033 0.0138
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0033 0.0138
Loa Loa (eye worm) hypothetical protein 0.0075 0.0842 0.4666
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0033 0.0053
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0199 0.2382 0.3706
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0033 0.0000059451
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0111 0.0465
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0199 0.2382 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1702 0.9623
Echinococcus granulosus smad 0.001 0.0033 0.0138
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0199 0.2382 0.2382
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0018 0.0018
Plasmodium falciparum dihydroorotate dehydrogenase 0.0509 0.6239 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0335 0.1741
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0033 0.0138
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0197 0.0829
Brugia malayi CXXC zinc finger family protein 0.0035 0.0342 0.0498
Schistosoma mansoni glutamate receptor kainate 0.0019 0.0152 0.0243
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0335 0.0487
Echinococcus multilocularis glutamate receptor 2 0.0019 0.0152 0.0152
Toxoplasma gondii ABC1 family protein 0.0075 0.0842 0.1194
Schistosoma mansoni hypothetical protein 0.0039 0.0394 0.0631
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0033 0.0000059451
Schistosoma mansoni smad1 5 8 and 0.001 0.0033 0.0053
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0033 0.0053
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0033 0.0053
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0199 0.2382 0.2382
Brugia malayi Glutamate receptor 1 precursor 0.0019 0.0152 0.0191
Echinococcus multilocularis geminin 0.017 0.2019 0.2019
Echinococcus granulosus glutamate receptor 2 0.0016 0.0108 0.0455
Brugia malayi MH2 domain containing protein 0.0144 0.1702 0.2689
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0033 0.0000059451
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0033 0.0000059451
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0023 0.0197 0.0829
Echinococcus multilocularis cpg binding protein 0.0037 0.0366 0.0366
Leishmania major hypothetical protein, conserved 0.0075 0.0842 0.1194
Loa Loa (eye worm) hypothetical protein 0.0075 0.0842 0.4666
Schistosoma mansoni smad 0.001 0.0033 0.0053
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0842 0.1194
Brugia malayi Glutamate receptor 2 precursor 0.0019 0.0152 0.0191
Schistosoma mansoni ATP-binding cassette transporter 0.0019 0.0152 0.0243
Loa Loa (eye worm) glutamate receptor 1 0.0019 0.0152 0.0685
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0042 0.0015
Onchocerca volvulus 0.0035 0.0342 0.178
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0111 0.0111
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0033 0.0138
Schistosoma mansoni Smad4 0.001 0.0033 0.0053
Echinococcus granulosus cpg binding protein 0.0037 0.0366 0.1538
Onchocerca volvulus 0.0149 0.1767 1
Brugia malayi ecdysteroid receptor 0.001 0.0033 0.0000059451
Schistosoma mansoni cpg binding protein 0.0035 0.0342 0.0548
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0199 0.2382 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0033 0.0033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0531 0.2872
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0033 0.0053
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0033 0.0033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0033 0.0000059451
Loa Loa (eye worm) hypothetical protein 0.0075 0.0842 0.4666
Loa Loa (eye worm) RNA binding protein 0.0064 0.0712 0.3915

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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