Detailed information for compound 830994

Basic information

Technical information
  • TDR Targets ID: 830994
  • Name: N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-5 -ethyl-3-methyl-1-benzofuran-2-carboxamide
  • MW: 391.42 | Formula: C22H21N3O4
  • H donors: 1 H acceptors: 3 LogP: 4.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)c1nonc1NC(=O)c1oc2c(c1C)cc(cc2)CC
  • InChi: 1S/C22H21N3O4/c1-4-14-6-11-18-17(12-14)13(3)20(28-18)22(26)23-21-19(24-29-25-21)15-7-9-16(10-8-15)27-5-2/h6-12H,4-5H2,1-3H3,(H,23,25,26)
  • InChiKey: NTUDBDCQLMFGMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-5-ethyl-3-methyl-benzofuran-2-carboxamide
  • N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]-5-ethyl-3-methyl-2-benzofurancarboxamide
  • N-[4-(4-ethoxyphenyl)furazan-3-yl]-5-ethyl-3-methyl-benzofuran-2-carboxamide
  • D269-1118
  • NCGC00117772-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
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
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
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative 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
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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 ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Leishmania infantum 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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 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
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis FKBP12 rapamycin complex associated 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
Echinococcus granulosus FKBP12 rapamycin complex associated 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
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative 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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 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
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) 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
Leishmania mexicana phosphatidylinositol 3 kinase, 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
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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.045 0.1961
Trypanosoma brucei cytochrome P450, putative 0.002 0.0023 0.051
Brugia malayi hypothetical protein 0.0063 0.0566 0.0723
Brugia malayi beta-lactamase family protein 0.0043 0.0314 0.0398
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.009 0.2009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.031 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0023 0.002
Onchocerca volvulus 0.0043 0.0314 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0136 0.0002
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.045 0.1935
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.031 0.0542
Onchocerca volvulus 0.0043 0.0314 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.031 0.0542
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0152 0.0632
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0152 0.0187
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0152 0.0661
Onchocerca volvulus Peroxidase homolog 0.0063 0.0566 0.129
Onchocerca volvulus 0.01 0.102 0.2703
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0566 0.129
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Schistosoma mansoni neprilysin 0.0052 0.0427 0.1862
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0674 0.2915
Echinococcus granulosus zinc finger protein 0.0024 0.0065 0.0252
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.045 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0314 0.0307
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0566 0.0723
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.011 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.0426 0.0542
Schistosoma mansoni hypothetical protein 0.0019 0.0007 0.0031
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2927 0.378
Schistosoma mansoni peroxidasin 0.0063 0.0566 0.2466
Loa Loa (eye worm) peptidase family M13 containing protein 0.0149 0.1635 0.2108
Brugia malayi Peroxidasin 0.0063 0.0566 0.0723
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0566 0.0723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0175 0.0123
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.045 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.0566 0.129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.048 0.2091
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0101 0.1043 0.4544
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0201 0.2295 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0415 0.0528
Echinococcus multilocularis peroxidasin 0.0063 0.0566 0.0559
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0311 0.691
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Loa Loa (eye worm) hypothetical protein 0.006 0.0525 0.067
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0314 0.0878
Mycobacterium ulcerans lipase LipD 0.0043 0.0314 0.0878
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0314 0.1342
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0314 0.6985
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.048 0.2091
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0566 0.0723
Toxoplasma gondii ABC1 family protein 0.0043 0.0314 0.0759
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0136 0.0002
Plasmodium vivax SET domain protein, putative 0.0036 0.0221 0.4257
Echinococcus granulosus endothelin converting enzyme 1 0.0201 0.2295 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.035 0.0444
Onchocerca volvulus 0.0043 0.0314 0.0506
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0311 0.691
Brugia malayi Cytochrome P450 family protein 0.0031 0.0159 0.0196
Loa Loa (eye worm) peptidase family M13 containing protein 0.0149 0.1635 0.2108
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0314 0.0554
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0023 0.051
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0036 0.0037
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.045 0.0443
Loa Loa (eye worm) POT family protein 0.0308 0.3637 0.47
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0566 0.129
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0285 0.036
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0027 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.031 0.0542
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0314 0.0398
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0101 0.1043 0.4544
Mycobacterium ulcerans zinc metalloprotease 0.0201 0.2295 0.6842
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.048 0.0473
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0081 0.0096
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0302 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.035 0.0665
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0232 0.0225
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0261 0.1139
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0201 0.2295 0.2962
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.045 1
Giardia lamblia GTOR 0.0054 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0149 0.1635 0.2108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.045 0.0573
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Brugia malayi peptidase family M13 containing protein 0.0049 0.0383 0.0487
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.326 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.0427 0.1862
Brugia malayi hypothetical protein 0.0543 0.6595 0.8528
Echinococcus multilocularis peregrin 0.0033 0.0188 0.0181
Brugia malayi POT family protein 0.0308 0.3637 0.47
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0171 0.0111
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0314 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0175 0.0123
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0023 0.002
Schistosoma mansoni hypothetical protein 0.0019 0.0007 0.0031
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0221 0.0963
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Leishmania major hypothetical protein, conserved 0.0043 0.0314 0.6985
Onchocerca volvulus 0.0036 0.0221 0.0216
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0674 0.0667
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0023 0.051
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0314 0.0398
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0027 0.0019
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.1025 0.445
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Schistosoma mansoni hypothetical protein 0.0019 0.0007 0.0031
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.011 0.0479
Onchocerca volvulus 0.0063 0.0566 0.129
Brugia malayi Bromodomain containing protein 0.0046 0.0349 0.0443
Brugia malayi beta-lactamase family protein 0.0043 0.0314 0.0398
Schistosoma mansoni peroxidasin 0.0063 0.0566 0.2466
Brugia malayi Blistered cuticle protein 3 0.0063 0.0566 0.0723
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0314 0.0878
Toxoplasma gondii peptidase family M13 protein 0.0201 0.2295 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0221 0.0323
Schistosoma mansoni zinc finger protein 0.0024 0.0065 0.0283
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Schistosoma mansoni endothelin-converting enzyme-related 0.0049 0.0383 0.167
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.045 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0566 0.0723
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0314 0.6985
Loa Loa (eye worm) hypothetical protein 0.0201 0.2295 0.2962
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.045 0.0974
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.045 0.0573
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0041 0.0285 0.036
Brugia malayi Cytochrome P450 family protein 0.002 0.0023 0.002
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0049 0.0383 0.167
Brugia malayi Peptidase family M13 containing protein 0.0201 0.2295 0.2962
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0027 0.0116
Brugia malayi jmjC domain containing protein 0.01 0.1025 0.1318
Loa Loa (eye worm) hypothetical protein 0.0057 0.048 0.0612
Onchocerca volvulus 0.0286 0.3364 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.0152 0.5
Onchocerca volvulus Peroxidase homolog 0.0063 0.0566 0.129
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0152 0.0145
Loa Loa (eye worm) hypothetical protein 0.0201 0.2295 0.2962
Echinococcus granulosus peregrin 0.0033 0.0188 0.0789
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0314 0.0554
Brugia malayi beta-lactamase 0.0043 0.0314 0.0398
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0027 0.0085
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0566 0.0723
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0313 0.1338
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Onchocerca volvulus 0.0063 0.0566 0.129
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0633 0.7732 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0728 0.3174
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0525 0.067
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0261 0.1111
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.045 0.0974
Onchocerca volvulus 0.0063 0.0566 0.129
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0314 0.137
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0566 0.0723
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0212 0.4709
Loa Loa (eye worm) hypothetical protein 0.01 0.102 0.1311
Brugia malayi Pre-SET motif family protein 0.0251 0.2927 0.378
Loa Loa (eye worm) hypothetical protein 0.0149 0.1635 0.2108
Loa Loa (eye worm) hypothetical protein 0.0149 0.1635 0.2108
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0767 0.3341
Schistosoma mansoni hypothetical protein 0.0019 0.0007 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0175 0.0123
Loa Loa (eye worm) hypothetical protein 0.0543 0.6595 0.8528
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0261 0.1139
Loa Loa (eye worm) hypothetical protein 0.0149 0.1635 0.2108
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0525 0.067
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0261 0.0329
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0204 0.0861
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0566 0.0723
Brugia malayi Bromodomain containing protein 0.0033 0.0188 0.0234
Loa Loa (eye worm) CYP4Cod1 0.002 0.0023 0.002
Brugia malayi Cytochrome P450 family protein 0.002 0.0023 0.002
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0561 0.0716
Leishmania major hypothetical protein, conserved 0.0035 0.0212 0.4709
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3364 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.1025 0.1019
Loa Loa (eye worm) hypothetical protein 0.0152 0.1679 0.2165
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0049 0.0383 0.167
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0212 0.4709
Loa Loa (eye worm) hypothetical protein 0.0049 0.0386 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.045 0.0974
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0275 0.0576
Brugia malayi PHD-finger family protein 0.003 0.0146 0.018
Leishmania major cytochrome p450-like protein 0.002 0.0023 0.051
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0049 0.0383 0.167
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0201 0.2295 0.6724
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.045 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0065 0.0058
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.045 1
Brugia malayi jmjC domain containing protein 0.0039 0.0261 0.0329
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0051 0.1136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0171 0.0111
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0049 0.0383 0.167
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Schistosoma mansoni hypothetical protein 0.0031 0.0152 0.0661
Loa Loa (eye worm) zinc metallopeptidase 4 0.0049 0.0383 0.0487
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Loa Loa (eye worm) beta-lactamase 0.0043 0.0314 0.0398
Schistosoma mansoni hypothetical protein 0.0041 0.0285 0.1242
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0566 0.0723
Brugia malayi Angiotensin-converting enzyme family protein 0.0633 0.7732 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0311 0.691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0211 0.0233
Loa Loa (eye worm) hypothetical protein 0.0085 0.0841 0.108
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0221 0.0963
Brugia malayi Bromodomain containing protein 0.0091 0.0906 0.1164
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0302 0.1289
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0221 0.0214
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0101 0.1043 0.4544
Loa Loa (eye worm) hypothetical protein 0.0031 0.0152 0.0187
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0314 0.0554
Schistosoma mansoni hypothetical protein 0.0052 0.0427 0.1862
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0314 0.0554
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0049 0.0383 0.167
Schistosoma mansoni neprilysin-2 (M13 family) 0.0101 0.1043 0.4544
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.2295 0.2962
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0566 0.0723
Echinococcus multilocularis endothelin converting enzyme 1 0.0201 0.2295 0.2289
Mycobacterium ulcerans hydrolase/amidase 0.0284 0.3344 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Trichomonas vaginalis esterase, putative 0.0043 0.0314 0.0554
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.048 0.2066
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0275 0.0432
Mycobacterium ulcerans beta-lactamase 0.0043 0.0314 0.0878
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0566 0.129
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0136 0.0002
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0101 0.1043 0.4544
Echinococcus granulosus peroxidasin 0.0063 0.0566 0.2442
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0314 0.137
Brugia malayi Pre-SET motif family protein 0.0036 0.0221 0.0277
Schistosoma mansoni hypothetical protein 0.0025 0.0081 0.0353
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.031 0.0542
Mycobacterium leprae probable zinc metalloprotease 0.0201 0.2295 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0313 0.0306
Loa Loa (eye worm) hypothetical protein 0.0063 0.0566 0.0723
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0398
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0525 0.067
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.011 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0225 0.0278
Brugia malayi PHD-finger family protein 0.0031 0.0152 0.0187
Mycobacterium ulcerans hypothetical protein 0.0043 0.0314 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0136 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0314 0.6985
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0159 0.0196
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0314 0.0554
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.045 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.4125 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 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) 4.14 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 (functional) 7.9433 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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 (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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