Detailed information for compound 1387440

Basic information

Technical information
  • TDR Targets ID: 1387440
  • Name: (4Z)-3-(4-methylphenyl)-4-(phenylmethylidene) -1,2-oxazol-5-one
  • MW: 263.291 | Formula: C17H13NO2
  • H donors: 0 H acceptors: 1 LogP: 4.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1=NOC(=O)/C/1=C\c1ccccc1
  • InChi: 1S/C17H13NO2/c1-12-7-9-14(10-8-12)16-15(17(19)20-18-16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
  • InChiKey: KKCJFFDBFBWXMI-PTNGSMBKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-methylphenyl)-4-(phenylmethylidene)-1,2-oxazol-5-one
  • 3-(4-methylphenyl)-4-(phenylmethylene)isoxazol-5-one
  • (4Z)-3-(4-methylphenyl)-4-(phenylmethylene)isoxazol-5-one
  • (4Z)-3-(4-methylphenyl)-4-(phenylmethylene)-5-isoxazolone
  • 3-(4-methylphenyl)-4-(phenylmethylene)-5-isoxazolone
  • (4Z)-4-(benzylidene)-3-(4-methylphenyl)isoxazol-5-one
  • 4-(benzylidene)-3-(4-methylphenyl)isoxazol-5-one
  • ZINC00068170
  • AG-205/36814024
  • 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone
  • MLS001180394
  • SMR000476170
  • ZINC04482324
  • A1761/0074753

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii thioredoxin reductase 0.0057 0.254 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.594 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.594 0.5809
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.254 0.2985
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Echinococcus granulosus dna polymerase kappa 0.0023 0.0523 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.594 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0523 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.594 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0523 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0523 0.0373
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0313 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6906 0.8837
Leishmania major trypanothione reductase 0.0057 0.254 0.3958
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0523 0.0881
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7773 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.0523 0.0373
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0313 0.0379
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.594 1
Schistosoma mansoni kinase 0.0058 0.2592 0.2353
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7773 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0523 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0313 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7773 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6906 0.8837
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0313 0.0379
Trypanosoma brucei polo-like protein kinase 0.0114 0.594 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0313 0.0379
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.254 1
Trypanosoma brucei trypanothione reductase 0.0057 0.254 0.4187
Trypanosoma brucei unspecified product 0.0023 0.0523 0.0738
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0523 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Plasmodium falciparum glutathione reductase 0.0057 0.254 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0523 0.0373
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.254 0.3958
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.594 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6906 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0313 0.0528
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0523 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2502 0.389
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.594 0.5
Giardia lamblia Kinase, PLK 0.0114 0.594 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0523 0.0373
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0523 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0523 0.0738
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0523 0.0373
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0313 0.5
Mycobacterium tuberculosis Probable reductase 0.013 0.6906 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Plasmodium falciparum thioredoxin reductase 0.0057 0.254 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0523 0.0373
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0313 0.0379
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.254 0.3958
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.594 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0523 0.0217
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.254 0.3723
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0523 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0523 0.0373
Leishmania major DNA polymerase eta, putative 0.0023 0.0523 0.0373
Brugia malayi glutathione reductase 0.0057 0.254 0.4276
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0523 0.0217
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0523 0.0881
Loa Loa (eye worm) glutathione reductase 0.0057 0.254 0.3723
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6906 0.8837
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0523 0.0373
Leishmania major DNA polymerase kappa, putative 0.0023 0.0523 0.0373
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0523 0.0281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0523 0.0373
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7773 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.594 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.254 0.3958
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.594 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0523 0.0217
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0523 0.0281
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0523 0.0738
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6906 0.8837
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0523 0.0738
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0523 0.0738
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2502 0.389
Plasmodium vivax glutathione reductase, putative 0.0057 0.254 1
Treponema pallidum NADH oxidase 0.002 0.0313 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.594 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0523 0.0738
Brugia malayi Thioredoxin reductase 0.0057 0.254 0.4276

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3587 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 7.5193 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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