Detailed information for compound 1354988

Basic information

Technical information
  • TDR Targets ID: 1354988
  • Name: N-(4-fluorophenyl)-2-(2-hydroxy-5-nitro-1H-in dol-3-yl)-2-oxoacetamide
  • MW: 343.266 | Formula: C16H10FN3O5
  • H donors: 3 H acceptors: 5 LogP: 3.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)C(=O)c1c(O)[nH]c2c1cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C16H10FN3O5/c17-8-1-3-9(4-2-8)18-16(23)14(21)13-11-7-10(20(24)25)5-6-12(11)19-15(13)22/h1-7,19,22H,(H,18,23)
  • InChiKey: ONJTZVXDJCRNID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-oxo-acetamide
  • N-(4-fluorophenyl)-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-keto-acetamide
  • N-(4-fluorophenyl)-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-oxo-ethanamide
  • SMR000371933
  • Oprea1_735546
  • T0507-5274
  • MLS000757625

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin-like modifier activating enzyme 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens SUMO1 activating enzyme subunit 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni sumo-1-activating enzyme E1a Get druggable targets OG5_128859 All targets in OG5_128859
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni sumo-1-activating enzyme E1a Get druggable targets OG5_128859 All targets in OG5_128859
Leishmania major ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei ubiquitin-activating enzyme E1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma japonicum ko:K10684 ubiquitin-like 1-activating enzyme E1 A, putative Get druggable targets OG5_128859 All targets in OG5_128859
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus sumo-activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis SUMO-1 activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K10685 ubiquitin-like 1-activating enzyme E1 B, putative Get druggable targets OG5_127838 All targets in OG5_127838
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum SUMO-1 activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense ubiquitin-activating enzyme e1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi SUMO-activating enzyme subunit 1, putative Get druggable targets OG5_128859 All targets in OG5_128859
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium berghei SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis SUMO activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum AFR138Wp, related Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense ubiquitin-activating enzyme E1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus SUMO activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii related to ubiquitin-activating enzyme homolog UBA2-related Get druggable targets OG5_127838 All targets in OG5_127838
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Ubiquitin-activating enzyme E1 1 Get druggable targets OG5_127838 All targets in OG5_127838
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae AOS1 (YPR180W) which mediates conjugation of ubiquitin-like Smt3p (sumoylation) to target proteins Get druggable targets OG5_128859 All targets in OG5_128859
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium vivax ubiquitin activating enzyme, putative Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma mansoni ubiquitin-activating enzyme E1b Get druggable targets OG5_127838 All targets in OG5_127838
Candida albicans similar to Uba1 (Ub-activating enzyme) Get druggable targets OG5_127838 All targets in OG5_127838
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans similar to S. cerevisiae AOS1 (YPR180W) which mediates conjugation of ubiquitin-like Smt3p (sumoylation) to target proteins Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma cruzi ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis conserved hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Plasmodium falciparum SUMO-activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Plasmodium knowlesi SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Theileria parva hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis SUMO activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium falciparum SUMO-activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii SUMO-1 activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium berghei SUMO-activating enzyme subunit 1, putative Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Brugia malayi ThiF family protein Get druggable targets OG5_128859 All targets in OG5_128859
Brugia malayi ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania donovani ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to Uba1 (Ub-activating enzyme) Get druggable targets OG5_127838 All targets in OG5_127838
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) proteasome subunit beta type 2 0.0081 0.0531 0.1831
Schistosoma mansoni tar DNA-binding protein 0.0076 0.048 0.048
Brugia malayi Proteasome A-type and B-type family protein 0.0269 0.2902 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0081 0.0531 0.1831
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0053 0.0183 0.0183
Mycobacterium ulcerans proteasome PrcB 0.0269 0.2902 1
Echinococcus granulosus adhesion regulating molecule 1 0.0077 0.0481 0.0481
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0081 0.0531 0.1831
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0081 0.0531 0.1318
Echinococcus multilocularis dual specificity 0.0108 0.0878 0.0878
Plasmodium vivax proteasome subunit beta type-5, putative 0.0269 0.2902 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0115 0.096 0.096
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0269 0.2902 0.6918
Echinococcus granulosus dual specificity 0.0108 0.0878 0.0878
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0124 0.1083 0.3733
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.096 0.3308
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0269 0.2902 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0124 0.1083 0.3733
Onchocerca volvulus Serine\/threonine kinase homolog 0.0115 0.096 1
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.0077 0.0481 0.1656
Echinococcus granulosus tar DNA binding protein 0.0076 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0058 0.025 0.0863
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0081 0.0531 0.0795
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0124 0.1083 0.3733
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0081 0.0531 0.0531
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0115 0.096 0.096
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0081 0.0531 0.0531
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.048 0.1655
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3958 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.048 0.1655
Schistosoma mansoni tar DNA-binding protein 0.0076 0.048 0.048
Brugia malayi ThiF family protein 0.0058 0.025 0.0863
Leishmania major proteasome beta 2 subunit, putative 0.0081 0.0531 0.1831
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0269 0.2902 0.2902
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Entamoeba histolytica protein kinase, putative 0.0108 0.0878 0.2198
Plasmodium vivax proteasome subunit beta type-2, putative 0.0081 0.0531 0.1831
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3958 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0481 0.1656
Toxoplasma gondii proteasome subunit beta type, putative 0.0269 0.2902 1
Plasmodium vivax ubiquitin activating enzyme, putative 0.0058 0.025 0.0863
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0124 0.1083 0.3733
Brugia malayi Protein kinase domain containing protein 0.0108 0.0878 0.3027
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0124 0.1083 0.2278
Brugia malayi serine/threonine-protein kinase plk-2 0.0115 0.096 0.3308
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0058 0.025 0.0863
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0058 0.025 0.025
Plasmodium falciparum 26S proteasome regulatory subunit RPN13, putative 0.004 0.002 0.0067
Brugia malayi proteasome subunit beta type 1 0.0124 0.1083 0.3733
Echinococcus granulosus proteasome prosome macropain 0.0269 0.2902 0.2902
Brugia malayi proteasome subunit beta type 2 0.0081 0.0531 0.1831
Brugia malayi RNA binding protein 0.0076 0.048 0.1655
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0115 0.096 0.3308
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.0878 0.3027
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.096 0.3308
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Leishmania major proteasome beta 5 subunit, putative 0.0269 0.2902 1
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0058 0.025 0.025
Echinococcus multilocularis proteasome (prosome, macropain) 0.0269 0.2902 0.2902
Trypanosoma brucei polo-like protein kinase 0.0115 0.096 0.3308
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0124 0.1083 0.1083
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0878 0.0878
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0124 0.1083 0.2717
Plasmodium falciparum proteasome subunit beta type-5 0.0269 0.2902 1
Trypanosoma cruzi 20S proteasome subunit 0.0081 0.0531 0.1831
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0269 0.2902 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.048 0.048
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.0878 0.3027
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.0878 0.3027
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Schistosoma mansoni kinase 0.0059 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0107 0.0867 0.2987
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0115 0.096 0.3308
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0124 0.1083 0.3733
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0124 0.1083 0.3733
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Giardia lamblia Kinase, PLK 0.0115 0.096 0.1251
Echinococcus multilocularis adhesion regulating molecule 1 0.0077 0.0481 0.0481
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0269 0.2902 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0269 0.2902 0.7163
Echinococcus multilocularis tar DNA binding protein 0.0076 0.048 0.048
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Entamoeba histolytica serine/threonine protein kinase, putative 0.0115 0.096 0.2404
Brugia malayi TAR-binding protein 0.0076 0.048 0.1655
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0867 0.2987
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0058 0.025 0.025
Toxoplasma gondii hypothetical protein 0.0058 0.025 0.0863
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0081 0.0531 0.0795
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0269 0.2902 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0269 0.2902 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0081 0.0531 0.0531
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0269 0.2902 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3958 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.0878 0.3027
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0269 0.2902 0.7325
Brugia malayi Adhesion regulating molecule conserved region family protein 0.0077 0.0481 0.1656
Loa Loa (eye worm) proteasome subunit beta type 1 0.0124 0.1083 0.3733
Giardia lamblia Proteasome subunit beta type 1 0.0124 0.1083 0.1611
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0124 0.1083 0.1083
Schistosoma mansoni tar DNA-binding protein 0.0076 0.048 0.048
Leishmania major hypothetical protein, conserved 0.004 0.002 0.0067
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3958 1
Entamoeba histolytica protein kinase, putative 0.0108 0.0878 0.2198
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0081 0.0531 0.0531
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.048 0.1655
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.096 0.096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.096 0.1947
Loa Loa (eye worm) RNA binding protein 0.0076 0.048 0.1655
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3958 1
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0081 0.0531 0.1831
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0081 0.0531 0.1831
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Entamoeba histolytica hypothetical protein 0.0108 0.0878 0.2198
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.0878 0.3027
Trypanosoma brucei proteasome beta 6 subunit 0.0124 0.1083 0.3733
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0124 0.1083 0.1083
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.0878 0.2198
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.0077 0.0481 0.0481
Schistosoma mansoni tar DNA-binding protein 0.0076 0.048 0.048

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 10.449 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
IC50 (functional) = 9.48 uM PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2006, AID2011, AID2069, AID2614, AID2658] ChEMBL. No reference
IC50 (binding) = 24.04 uM PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658] ChEMBL. No reference
IC50 (functional) > 50 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.7016 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9245 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (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 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 Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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 Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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