Detailed information for compound 826544

Basic information

Technical information
  • TDR Targets ID: 826544
  • Name: 1-[(4-butoxy-3-methoxyphenyl)methyl]-5-methyl indole-2,3-dione
  • MW: 353.412 | Formula: C21H23NO4
  • H donors: 0 H acceptors: 2 LogP: 3.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1OC)CN1c2ccc(cc2C(=O)C1=O)C
  • InChi: 1S/C21H23NO4/c1-4-5-10-26-18-9-7-15(12-19(18)25-3)13-22-17-8-6-14(2)11-16(17)20(23)21(22)24/h6-9,11-12H,4-5,10,13H2,1-3H3
  • InChiKey: LQYXGBAKHMXWOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-butoxy-3-methoxy-phenyl)methyl]-5-methyl-indoline-2,3-dione
  • 1-[(4-butoxy-3-methoxyphenyl)methyl]-5-methylindoline-2,3-dione
  • 1-(4-butoxy-3-methoxy-benzyl)-5-methyl-isatin
  • 1-[(4-butoxy-3-methoxy-phenyl)methyl]-5-methyl-indole-2,3-dione
  • T5456711
  • ZINC05152242
  • D011-2133
  • NCGC00114963-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
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
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0005 0.0349
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Onchocerca volvulus 0.0037 0.0003 0.007
Schistosoma mansoni hypothetical protein 0.0035 0.0002 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0004 0.0665
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0003 0.0003
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0005 0.0837
Echinococcus multilocularis chromobox protein 1 0.0084 0.001 0.0782
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0006 0.0481
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0005 0.0155
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0006 0.0444
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0005 0.0878
Loa Loa (eye worm) hypothetical protein 0.0037 0.0003 0.068
Schistosoma mansoni chromobox protein 0.0084 0.001 0.0782
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0001 0.0082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0006 0.0444
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Mycobacterium leprae Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS) 0.0758 0.0118 0.0114
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.013 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0004 0.0005
Loa Loa (eye worm) beta-lactamase 0.0043 0.0004 0.0963
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0011 0.0874
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0002 0.0123
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) 0.0758 0.0118 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0004 0.0542
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0006 0.0444
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0004 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0002 0.0123
Loa Loa (eye worm) hypothetical protein 0.0052 0.0005 0.1312
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0005 1
Echinococcus multilocularis peregrin 0.0038 0.0003 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0001 0.0156
Toxoplasma gondii ABC1 family protein 0.0043 0.0004 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0005 0.036
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0005 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0004 0.0542
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0004 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0002 0.0111
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0002 0.018
Schistosoma mansoni chromobox protein 0.0084 0.001 0.0782
Brugia malayi Bromodomain containing protein 0.0046 0.0004 0.0731
Echinococcus granulosus peregrin 0.0038 0.0003 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0001 0.0002
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0001 0.0082
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0005 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0005 0.0837
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0001 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Brugia malayi beta-lactamase 0.0043 0.0004 0.0605
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0005 0.0414
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0005 0.1225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0001 0.0002
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0004 0.0299
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) 0.0758 0.0118 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0004 0.0697
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0015 0.1165
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0004 0.0299
Mycobacterium tuberculosis Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2) 0.0758 0.0118 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0004 0.0542
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0004 0.6599
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.001 0.2731
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0004 0.0282
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0002 0.017
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0004 0.0299
Brugia malayi Heterochromatin protein 1 0.0084 0.001 0.2443
Echinococcus multilocularis zinc finger protein 0.0024 0 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0001 0.0002
Mycobacterium ulcerans dihydropteroate synthase 2 FolP2 0.0758 0.0118 0.0114
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0004 0.0282
Brugia malayi beta-lactamase family protein 0.0043 0.0004 0.0605
Loa Loa (eye worm) hypothetical protein 0.0049 0.0005 0.1225
Brugia malayi chromobox protein homolog 3 0.0047 0.0004 0.0772
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0006 0.0444
Brugia malayi Bromodomain containing protein 0.0038 0.0003 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0002 0.0233
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0015 0.1165
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0005 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0002 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0004 0.0963
Echinococcus granulosus chromobox protein 1 0.0084 0.001 0.0782
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0004 0.0554
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0004 0.0554
Mycobacterium leprae PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2) 0.0758 0.0118 0.0114
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0004 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0003 0.0278
Leishmania major hypothetical protein, conserved 0.0043 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0025 0.0001 0.0053
Leishmania major methionine synthase, putative 0.0758 0.0118 1
Schistosoma mansoni hypothetical protein 0.0034 0.0002 0.0163
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0004 0.0554
Brugia malayi jmjC domain containing protein 0.0115 0.0015 0.3852
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 0.0758 0.0118 0.0114
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0004 0.0554
Loa Loa (eye worm) hypothetical protein 0.006 0.0006 0.1697
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0005 0.0878
Echinococcus granulosus tumor protein p63 0.0408 0.0062 0.4767
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0002 0.0174
Loa Loa (eye worm) hypothetical protein 0.0046 0.0004 0.1087
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0004 0.0282
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0004 0.6514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0002 0.0111
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0001 0.0985
Brugia malayi jmjC domain containing protein 0.0045 0.0004 0.0671
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0002 0.018
Loa Loa (eye worm) hypothetical protein 0.0035 0.0002 0.0603
Loa Loa (eye worm) hypothetical protein 0.0057 0.0006 0.1535
Brugia malayi Pre-SET motif family protein 0.0251 0.0037 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0002 0.0603
Mycobacterium ulcerans B12-dependent methionine synthase 0.0758 0.0118 0.0114
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0004 0.0281
Trichomonas vaginalis esterase, putative 0.0043 0.0004 0.0554
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Echinococcus granulosus microtubule associated protein 2 0.0833 0.013 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0002 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0004 0.0282
Mycobacterium tuberculosis 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) ( 4.8336 0.7701 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.013 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0002 0.0544
Toxoplasma gondii dihydropteroate synthase 1.5178 0.2416 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0004 0.0477
Echinococcus granulosus chromobox protein 1 0.0084 0.001 0.0782
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0037 1
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 1.5178 0.2416 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0008 0.0634
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0005 0.0414
Brugia malayi PHD-finger family protein 0.0035 0.0002 0.0232
Loa Loa (eye worm) hypothetical protein 0.0047 0.0004 0.1123
Loa Loa (eye worm) hypothetical protein 0.0085 0.001 0.2786
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0002 0.0161
Schistosoma mansoni zinc finger protein 0.0024 0 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0005 0.0974
Onchocerca volvulus 0.0043 0.0004 0.033
Trichomonas vaginalis chromobox protein, putative 0.0084 0.001 0.2137
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0008 0.0634
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase 1.5178 0.2416 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0004 0.0697
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0004 0.1026
Echinococcus granulosus zinc finger protein 0.0024 0 0.0037
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0005 0.0619
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0008 0.2233
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0004 0.0271
Brugia malayi Bromodomain containing protein 0.0091 0.0011 0.2734
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0002 0.0123
Loa Loa (eye worm) hypothetical protein 0.0049 0.0005 0.1211
Onchocerca volvulus 0.0043 0.0004 0.033
Trichomonas vaginalis chromobox protein, putative 0.0084 0.001 0.2137
Loa Loa (eye worm) hypothetical protein 0.0043 0.0004 0.0963
Brugia malayi beta-lactamase family protein 0.0043 0.0004 0.0605
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0004 0.0281
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0005 0.1093
Onchocerca volvulus 0.005 0.0005 0.0583
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0002 0.018
Onchocerca volvulus 0.0043 0.0004 0.033
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0005 0.0414
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0005 0.0155
Giardia lamblia GTOR 0.0054 0.0005 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0004 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0005 0.0974
Brugia malayi Pre-SET motif family protein 0.0036 0.0002 0.027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0001 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0004 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0004 0.0542
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 1.5178 0.2416 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0005 0.1432
Echinococcus multilocularis chromobox protein 1 0.0084 0.001 0.0782
Schistosoma mansoni bromodomain containing protein 0.0076 0.0009 0.0687
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0042 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0003 0.0432
Onchocerca volvulus 0.0286 0.0042 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0005 1
Mycobacterium ulcerans 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase 6.2756 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0002 0.0001
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0005 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0041 0.0049
Loa Loa (eye worm) hypothetical protein 0.006 0.0006 0.1669
Echinococcus multilocularis tumor protein p63 0.0408 0.0062 0.4767
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0002 0.019
Onchocerca volvulus 0.006 0.0006 0.0977
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0002 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0005 0.0974

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2612 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.414 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.5119 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) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.6892 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.6892 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 19.9526 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) 20.7491 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (binding) = 22.3872 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) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.2809 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

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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