Detailed information for compound 1485225

Basic information

Technical information
  • TDR Targets ID: 1485225
  • Name: 2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl] sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
  • MW: 386.898 | Formula: C19H19ClN4OS
  • H donors: 2 H acceptors: 3 LogP: 4.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc([nH]1)c1ccccc1Cl
  • InChi: 1S/C19H19ClN4OS/c1-11-8-12(2)17(13(3)9-11)21-16(25)10-26-19-22-18(23-24-19)14-6-4-5-7-15(14)20/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)
  • InChiKey: WFHAZCWBJJFPGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide
  • G731-0222
  • NCGC00133580-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana phosphatidylinositol 3 kinase, 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
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
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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
Giardia lamblia GTOR 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 mansoni ataxia telangiectasia mutated (atm)-related 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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 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
Leishmania infantum 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_127212 All targets in OG5_127212
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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
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
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
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like 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 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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family 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
Schistosoma mansoni metabotropic glutamate receptor 0.0217 0.2539 0.2561
Schistosoma mansoni hypothetical protein 0.0041 0.0329 0.0303
Loa Loa (eye worm) hypothetical protein 0.0237 0.2787 0.2808
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0072 0.0723 0.0627
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0042 0.0342 0.0311
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0115 0.3831
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.036 0.0321
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0498 0.0463
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0236 0.0208
Onchocerca volvulus 0.0048 0.0423 0.0317
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0042 0.0342 0.0311
Loa Loa (eye worm) hypothetical protein 0.0033 0.0236 0.0201
Loa Loa (eye worm) hypothetical protein 0.0049 0.0438 0.0407
Schistosoma mansoni tyrosine kinase 0.0042 0.0342 0.0317
Brugia malayi hypothetical protein 0.0036 0.0269 0.0228
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Schistosoma mansoni hypothetical protein 0.0036 0.0269 0.0242
Brugia malayi Guanylyl cyclase protein 23 0.0042 0.0342 0.0303
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0042 0.0342 0.0317
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0498 0.0463
Treponema pallidum hexokinase (hxk) 0.0797 0.9821 0.5
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0236 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0046 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0046 0.0916
Brugia malayi hexokinase 0.0797 0.9821 1
Schistosoma mansoni metabotropic glutamate receptor 0.0373 0.4495 0.4558
Echinococcus granulosus metabotropic glutamate receptor 2 0.0373 0.4495 0.4558
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1054 0.1043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.4418
Loa Loa (eye worm) hypothetical protein 0.0052 0.0467 0.0437
Onchocerca volvulus Poor gastrulation protein homolog 0.0072 0.0723 0.0627
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.4499
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0115 0.0071
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1054 0.1025
Onchocerca volvulus Hexokinase homolog 0.05 0.6093 0.6159
Schistosoma mansoni survival motor neuron protein 0.0048 0.0423 0.0399
Leishmania major hexokinase, putative 0.0797 0.9821 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0042 0.0342 0.0311
Echinococcus multilocularis hexokinase 0.0797 0.9821 0.9821
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0236 0.0125
Brugia malayi CHE-14 protein 0.0042 0.0348 0.0309
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0115 0.3831
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0046 0.0006
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0042 0.0342 0.0234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.4499
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0236 0.0208
Loa Loa (eye worm) hexokinase 0.0797 0.9821 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3702
Onchocerca volvulus 0.0797 0.9821 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0139 0.0096
Echinococcus granulosus GPCR family 3 C terminal 0.0072 0.0723 0.0706
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0269 0.0242
Loa Loa (eye worm) RGC/RGC protein kinase 0.0042 0.0342 0.0309
Leishmania major pyruvate kinase 0.0033 0.0236 0.0195
Echinococcus granulosus tumor protein p63 0.0338 0.406 0.4115
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1073 0.1063
Brugia malayi metabotropic glutamate receptor type 2 0.0217 0.2539 0.255
Echinococcus multilocularis hexokinase type 2 0.0797 0.9821 0.9821
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0236 0.0201
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0498 0.0463
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0236 0.0195
Loa Loa (eye worm) RGC/RGC protein kinase 0.0042 0.0342 0.0309
Loa Loa (eye worm) hexokinase 0.05 0.6093 0.6189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3713
Echinococcus multilocularis glutamate receptor 2 0.0042 0.0342 0.0311
Loa Loa (eye worm) hypothetical protein 0.0253 0.2998 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0359 0.7204
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0046 0.0014
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0042 0.0342 0.0317
Onchocerca volvulus 0.05 0.6093 0.6159
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.4499
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0042 0.0342 0.0311
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0115 0.4191
Schistosoma mansoni tyrosine kinase 0.0042 0.0342 0.0317
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.1584 0.1557
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0236 0.0195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0359 0.7204
Trypanosoma cruzi extracellular receptor, putative 0.0042 0.0342 0.0303
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0236 0.0201
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1054 0.0972
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0498 0.0463
Onchocerca volvulus 0.0049 0.0438 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3713
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0423 0.0386
Brugia malayi hypothetical protein 0.0237 0.2787 0.2804
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1054 0.1031
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0042 0.0342 0.0317
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0115 0.0071
Brugia malayi Metabotropic glutamate receptor precursor. 0.0445 0.5401 0.5478
Toxoplasma gondii hexokinase 0.0797 0.9821 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0348 0.0322
Loa Loa (eye worm) glutamate receptor 0.0175 0.2014 0.2018
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.004 0.0582
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Loa Loa (eye worm) hypothetical protein 0.0042 0.0348 0.0315
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0236 0.4737
Schistosoma mansoni hexokinase 0.0797 0.9821 1
Entamoeba histolytica hexokinase 1 0.0797 0.9821 1
Echinococcus granulosus hexokinase 0.0797 0.9821 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0403 0.4876 0.4941
Brugia malayi Receptor family ligand binding region containing protein 0.0042 0.0342 0.0303
Echinococcus multilocularis pyruvate kinase 0.0033 0.0236 0.0205
Leishmania major pyruvate kinase 0.0033 0.0236 0.0195
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0269 0.0242
Entamoeba histolytica hypothetical protein 0.0036 0.0269 0.0164
Echinococcus granulosus metabotropic glutamate receptor 5 0.0548 0.6691 0.6802
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0115 0.0006
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0046 0.0014
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.01 0.0056
Echinococcus granulosus glutamate receptor 2 0.0042 0.0342 0.0317
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0348 0.0322
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0236 0.0195
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2787 0.2814
Giardia lamblia GTOR 0.0054 0.0498 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0115 0.0006
Trypanosoma brucei hexokinase 0.0797 0.9821 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.0236 0.0205
Schistosoma mansoni hypothetical protein 0.0048 0.0423 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3702
Echinococcus multilocularis protein dispatched 1 0.0048 0.0423 0.0392
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0498 0.0463
Echinococcus granulosus nmda type glutamate receptor 0.0042 0.0342 0.0317
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0236 0.0125
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0115 0.3831
Entamoeba histolytica hypothetical protein 0.0042 0.0342 0.024
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0077
Loa Loa (eye worm) glutamate receptor 0.0445 0.5401 0.5481
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0506 0.6166 0.6266
Chlamydia trachomatis pyruvate kinase 0.0033 0.0236 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0498 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0115 0.3831
Echinococcus multilocularis protein patched 0.0042 0.0348 0.0317
Schistosoma mansoni hypothetical protein 0.0041 0.0329 0.0303
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0114 0.1249 0.1236
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Schistosoma mansoni hypothetical protein 0.0072 0.0723 0.0706
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0115 0.3831
Leishmania major extracellular receptor, putative 0.0042 0.0342 0.0303
Onchocerca volvulus 0.0797 0.9821 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.2998 0.3024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0185 0.3713
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0498 0.0469
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0236 0.0195
Echinococcus multilocularis hexokinase 0.0797 0.9821 0.9821
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0115 0.0071
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0498 0.0401
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0373 0.4495 0.4477
Loa Loa (eye worm) hypothetical protein 0.0114 0.1249 0.1236
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0498 0.0468
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0109 0.0071
Plasmodium falciparum pyruvate kinase 0.0033 0.0236 0.0208
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.1584 0.1585
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0072 0.0723 0.0693
Echinococcus granulosus hexokinase 0.0797 0.9821 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0269 0.0238
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0115 0.0071
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0498 0.0476
Echinococcus granulosus tyrosine kinase 0.0042 0.0342 0.0317
Loa Loa (eye worm) hexokinase 0.0247 0.2913 0.2937
Echinococcus granulosus pyruvate kinase 0.0033 0.0236 0.0208
Echinococcus granulosus pyruvate kinase 0.0033 0.0236 0.0208
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0115 0.3831
Echinococcus multilocularis tumor protein p63 0.0338 0.406 0.4041
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0042 0.0342 0.0311
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0348 0.6977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0046 0.0916
Onchocerca volvulus 0.0797 0.9821 1
Schistosoma mansoni pyruvate kinase 0.0033 0.0236 0.0208
Brugia malayi hypothetical protein 0.0042 0.0342 0.0303
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0498 0.0463
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0046 0.0014
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0077
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0348 0.0315
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0438 0.0415
Echinococcus granulosus hexokinase 0.0797 0.9821 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Giardia lamblia Pyruvate kinase 0.0033 0.0236 0.4373
Onchocerca volvulus 0.0042 0.0342 0.0234
Brugia malayi hexokinase type II 0.0253 0.2998 0.302
Echinococcus granulosus atrial natriuretic peptide receptor 0.0042 0.0342 0.0317
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2787 0.2763
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.004 0.0008
Loa Loa (eye worm) hexokinase type II 0.0797 0.9821 1
Trypanosoma cruzi hexokinase, putative 0.0797 0.9821 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0115 0.4191
Schistosoma mansoni pyruvate kinase 0.0033 0.0236 0.0208
Plasmodium vivax hexokinase, putative 0.0797 0.9821 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0042 0.0342 0.0309
Mycobacterium ulcerans hypothetical protein 0.0024 0.0115 0.3831
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0115 0.0071
Leishmania major hexokinase, putative 0.0797 0.9821 1
Schistosoma mansoni patched 1 0.0042 0.0348 0.0322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0399 0.8002
Entamoeba histolytica hypothetical protein 0.0036 0.0269 0.0164
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0115 0.0071
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0077
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0236 0.0195
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Loa Loa (eye worm) hypothetical protein 0.0548 0.6691 0.68
Echinococcus multilocularis glutamate receptor 2 0.0042 0.0342 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0359 0.7204
Trypanosoma brucei hexokinase 0.0797 0.9821 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0236 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0042 0.0342 0.0309
Echinococcus granulosus expressed conserved protein 0.0093 0.0979 0.0967
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0114 0.1249 0.1236
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0115 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0359 0.7204
Schistosoma mansoni hypothetical protein 0.0041 0.0329 0.0303
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0359 0.7204
Loa Loa (eye worm) hypothetical protein 0.0544 0.6641 0.6748
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0236 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0046 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0274 0.5501
Trypanosoma brucei hexokinase, putative 0.0797 0.9821 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0115 0.0006
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0324 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0498 1
Echinococcus multilocularis hexokinase 0.0797 0.9821 0.9821
Schistosoma mansoni hypothetical protein 0.0041 0.0329 0.0303
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0042 0.0342 0.0303
Loa Loa (eye worm) hypothetical protein 0.0098 0.1054 0.1036
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Echinococcus multilocularis receptor type guanylyl cyclase 0.0042 0.0342 0.0311
Entamoeba histolytica hypothetical protein 0.0036 0.0269 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Schistosoma mansoni protein kinase 0.0042 0.0342 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0324 0.6498
Brugia malayi Receptor family ligand binding region containing protein 0.0114 0.1249 0.123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0498 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0046 0.0916
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0498 0.0401
Schistosoma mansoni glutamate receptor NMDA 0.0042 0.0342 0.0317
Onchocerca volvulus 0.0042 0.0342 0.0234
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0348 0.0317
Trypanosoma cruzi hexokinase, putative 0.0797 0.9821 1
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0236 0.4737
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.036 0.0321
Echinococcus multilocularis pyruvate kinase 0.0026 0.0148 0.0116
Brugia malayi Hexokinase family protein 0.05 0.6093 0.6187
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0548 0.6691 0.6681
Echinococcus multilocularis tyrosine kinase 0.0042 0.0342 0.0311
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.004 0.0008
Echinococcus multilocularis GPCR, family 3, C terminal 0.0072 0.0723 0.0694
Echinococcus multilocularis nmda type glutamate receptor 0.0042 0.0342 0.0311
Echinococcus granulosus receptor type guanylyl cyclase 0.0042 0.0342 0.0317
Loa Loa (eye worm) hypothetical protein 0.0023 0.0109 0.0071
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0498 0.0476
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.036 0.0321
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0498 0.0463
Entamoeba histolytica hypothetical protein 0.0036 0.0269 0.0164
Echinococcus granulosus hexokinase type 2 0.0797 0.9821 1
Brugia malayi Hexokinase family protein 0.0247 0.2913 0.2933
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0236 0.0125
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0236 0.0195
Entamoeba histolytica hexokinase 2 0.0797 0.9821 1
Echinococcus multilocularis expressed conserved protein 0.0093 0.0979 0.0949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.5205
Loa Loa (eye worm) hypothetical protein 0.0042 0.0342 0.0309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.4418
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0042 0.0342 0.0317
Loa Loa (eye worm) hexokinase 0.0797 0.9821 1
Plasmodium falciparum hexokinase 0.0797 0.9821 1
Brugia malayi Hexokinase family protein 0.0797 0.9821 1
Echinococcus granulosus glutamate receptor 2 0.0042 0.0342 0.0317
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0236 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0723 0.0699

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5614 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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