Detailed information for compound 1342501

Basic information

Technical information
  • TDR Targets ID: 1342501
  • Name: N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl) -5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazo l-3-yl]sulfanyl]acetamide
  • MW: 449.544 | Formula: C24H24FN5OS
  • H donors: 1 H acceptors: 3 LogP: 4.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)F)Cc1cccn1C
  • InChi: 1S/C24H24FN5OS/c1-16-11-17(2)13-19(12-16)26-23(31)15-32-24-28-27-22(14-21-5-4-10-29(21)3)30(24)20-8-6-18(25)7-9-20/h4-13H,14-15H2,1-3H3,(H,26,31)
  • InChiKey: LYXJGNOOZKYQIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • MLS000878597
  • SMR000095664
  • MLS000118724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0412 0.0804
Loa Loa (eye worm) hypothetical protein 0.0028 0.0257 0.0197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0404 0.0789
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0136 0.3169 0.5951
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0084 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0084 0.0164
Entamoeba histolytica protein kinase, putative 0.0036 0.0479 0.0697
Entamoeba histolytica protein kinase, putative 0.0034 0.0422 0.0583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0915 0.1786
Plasmodium falciparum pyruvate kinase 0.004 0.0585 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.003 0.0303 0.4651
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0053 0.0915 0.165
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0063 0.1203 0.2221
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0915 0.1603
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0023 0.0131 0.1397
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0063 0.1203 0.8285
Trichomonas vaginalis AGC family protein kinase 0.0153 0.3625 0.708
Brugia malayi phosphoinositide-dependent protein kinase I 0.0153 0.3625 0.6831
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0257 0.0252
Echinococcus multilocularis rac serine:threonine kinase 0.0026 0.0188 0.0132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0339 0.0661
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0028 0.0256 0.1274
Echinococcus multilocularis mitogen activated protein kinase 3 0.0063 0.1203 0.1152
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0585 0.4609
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.003 0.0303 0.0344
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0659 0.1287
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.1434 0.2612
Plasmodium vivax pyruvate kinase, putative 0.004 0.0585 1
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Brugia malayi Protein kinase domain containing protein 0.0036 0.0479 0.0762
Loa Loa (eye worm) phosphatidylinositol 3 0.0063 0.119 0.1259
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.8869 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.003 0.0303 0.0435
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0209 0.5121 0.9716
Brugia malayi Protein kinase domain containing protein 0.0153 0.3625 0.6831
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0053 0.0915 0.7427
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.066 0.515
Loa Loa (eye worm) hypothetical protein 0.0136 0.3169 0.3512
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0153 0.3625 0.4031
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.0071 0.0014
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.003 0.0303 0.0247
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.039 1 1
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0094 0.2038 0.3821
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0023 0.0131 0.1397
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0034 0.0422 0.0385
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0072 0.1434 0.1385
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0084 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0476 0.093
Giardia lamblia Kinase, AGC PKA 0.0023 0.0131 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0915 0.1786
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0072 0.1434 0.2801
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0102 0.2255 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.0131 0.0074
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0063 0.1203 0.1274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Echinococcus granulosus pyruvate kinase 0.004 0.0585 0.0531
Mycobacterium ulcerans pyruvate kinase 0.004 0.0585 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0053 0.0915 0.0862
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0144 0.3386 0.6612
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.066 0.4267
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0181 0.438 0.8287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0053 0.0915 0.0862
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0084 0.0164
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0063 0.1203 0.2221
Schistosoma mansoni phosphatidylinositol 4-kinase 0.003 0.0303 0.0247
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0053 0.0915 0.6153
Trypanosoma brucei protein kinase, putative 0.0063 0.1203 0.8285
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1203 0.2349
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0257 0.0197
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0084 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0084 0.0164
Loa Loa (eye worm) pyruvate kinase 0.004 0.0585 0.0571
Trypanosoma brucei rac serine-threonine kinase, putative 0.0036 0.0479 0.2926
Loa Loa (eye worm) hypothetical protein 0.0214 0.5268 0.5901
Echinococcus multilocularis mitogen activated protein kinase 0.0063 0.1203 0.1152
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.511 0.9979
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.003 0.0303 0.0344
Loa Loa (eye worm) AGC/AKT protein kinase 0.0036 0.0479 0.045
Toxoplasma gondii AGC kinase 0.0034 0.0422 0.3184
Entamoeba histolytica PH domain containing protein kinase, putative 0.0026 0.0188 0.0114
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0303 0.2144
Loa Loa (eye worm) hypothetical protein 0.0072 0.1452 0.1558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0915 0.1786
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.003 0.0303 0.0435
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0153 0.3625 0.4031
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0053 0.0915 0.6153
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0144 0.3386 0.6612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.034 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0053 0.0915 0.1571
Echinococcus granulosus pyruvate kinase 0.004 0.0585 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0659 0.1287
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.003 0.0303 0.0249
Leishmania major pyruvate kinase 0.004 0.0585 0.4481
Trypanosoma brucei pyruvate kinase 1 0.004 0.0585 0.3713
Echinococcus multilocularis nervana 2 0.0021 0.0071 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.034 0.0663
Giardia lamblia Kinase, CMGC MAPK 0.0063 0.1203 0.5213
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.003 0.0303 0.0247
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0136 0.3169 0.313
Leishmania major phosphatidylinositol 3-kinase, putative 0.003 0.0303 0.1958
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0209 0.5121 1
Trypanosoma cruzi Protein kinase B 0.0026 0.0188 0.0207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0084 0.0164
Schistosoma mansoni serine/threonine-protein kinase 0.0026 0.0188 0.0132
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.02 0.4876 0.951
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.1203 0.1152
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0585 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0072 0.1434 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.0131 0.0074
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0063 0.1203 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.003 0.0303 0.0591
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.066 0.1144
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0063 0.1203 1
Echinococcus multilocularis pyruvate kinase 0.004 0.0585 0.0531
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.0071 0.0014
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0026 0.0188 0.0207
Entamoeba histolytica hypothetical protein 0.0167 0.3989 0.7733
Schistosoma mansoni serine/threonine protein kinase 0.0153 0.3625 0.3589
Giardia lamblia GTOR 0.0053 0.0915 0.3903
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.034 0.0663
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.003 0.0303 0.0591
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0585 0.0967
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.003 0.0303 0.1622
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0585 0.0967
Toxoplasma gondii target of rapamycin (TOR), putative 0.0041 0.0594 0.469
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0053 0.0915 0.1571
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0585 0.0995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0659 0.1287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0339 0.0661
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0051 0.0877 0.3729
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.034 0.0663
Echinococcus multilocularis Zinc finger, PHD finger 0.003 0.0303 0.0247
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0585 0.5
Giardia lamblia Pyruvate kinase 0.004 0.0585 0.2403
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0209 0.5121 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0209 0.5121 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.0131 0.0074
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.003 0.0303 0.0247
Plasmodium falciparum phosphatidylinositol 3-kinase 0.003 0.0303 0.4651
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0585 0.0995
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0072 0.1434 0.2605
Brugia malayi MAP kinase sur-1 0.0063 0.1203 0.2158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0404 0.0789
Echinococcus granulosus mitogen activated protein kinase 0.0063 0.1203 0.1152
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0209 0.5121 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0303 0.2144
Loa Loa (eye worm) pyruvate kinase 0.004 0.0585 0.0571
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0136 0.3169 0.313
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.0131 0.0094
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1203 0.2349
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.003 0.0303 0.1958
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0659 0.1287
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0209 0.5121 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0153 0.3625 0.3589
Schistosoma mansoni pyruvate kinase 0.004 0.0585 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0412 0.0804
Echinococcus granulosus serine/threonine protein kinase 0.0026 0.0188 0.0132
Echinococcus granulosus nervana 2 0.0021 0.0071 0.0014
Echinococcus multilocularis pyruvate kinase 0.004 0.0585 0.0531
Echinococcus granulosus mitogen activated protein kinase 3 0.0063 0.1203 0.1152
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Echinococcus granulosus nervana 2 0.0021 0.0071 0.0014
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0063 0.1203 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0585 0.0571
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0585 0.1143
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0585 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.1434 0.2612
Chlamydia trachomatis pyruvate kinase 0.004 0.0585 0.5
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0153 0.3625 0.3589
Trichomonas vaginalis AGC family protein kinase 0.0153 0.3625 0.708
Leishmania major pyruvate kinase 0.004 0.0585 0.4481
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0915 0.0946
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0053 0.0915 0.0862
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0072 0.1434 0.2801
Schistosoma mansoni serine/threonine-protein kinase 0.0026 0.0188 0.0132
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0167 0.3989 0.7733
Entamoeba histolytica protein kinase, putative 0.0153 0.3625 0.7003
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0053 0.0915 0.165
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0025 0.0184 0.0741
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0072 0.1434 0.2801
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.003 0.0303 0.0591
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0063 0.1203 0.2221
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.0071 0.0014
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0084 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0659 0.1287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0053 0.0915 0.7427
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.003 0.0303 0.0247
Schistosoma mansoni pyruvate kinase 0.004 0.0585 0.0531
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1203 0.2349
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0209 0.5121 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0026 0.0188 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0594 0.1161
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.5268 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0072 0.1434 0.2681
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.0071 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0339 0.0661
Entamoeba histolytica protein kinase, putative 0.0036 0.0479 0.0697
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.1203 0.2349
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.039 1 1
Trichomonas vaginalis AGC family protein kinase 0.0153 0.3625 0.708
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.003 0.0303 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0412 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0732 0.1429
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0479 0.0935
Echinococcus multilocularis pyruvate kinase 0.0032 0.0357 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0503 0.0983
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0063 0.119 0.2195
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0585 0.1143
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0585 0.5
Brugia malayi p70 ribosomal S6 kinase beta 0.0034 0.0422 0.0652
Echinococcus multilocularis nervana 2 0.0021 0.0071 0.0014
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0585 0.3713
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0585 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0063 0.1203 0.2221
Loa Loa (eye worm) pyruvate kinase 0.004 0.0585 0.0571

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 2.01 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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