Detailed information for compound 629051

Basic information

Technical information
  • TDR Targets ID: 629051
  • Name: 4-[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfo nyl-1,3-oxazol-5-yl]morpholine
  • MW: 402.439 | Formula: C20H19FN2O4S
  • H donors: 0 H acceptors: 3 LogP: 3.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCOCC1)c1ccc(cc1)F
  • InChi: 1S/C20H19FN2O4S/c1-14-2-8-17(9-3-14)28(24,25)19-20(23-10-12-26-13-11-23)27-18(22-19)15-4-6-16(21)7-5-15/h2-9H,10-13H2,1H3
  • InChiKey: ZEPYSAKWRNKEKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-oxazol-5-yl]morpholine
  • 4-[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]morpholine
  • EU-0082168
  • ZINC02497624
  • Oprea1_386912

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii thioredoxin reductase 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
Neospora caninum MGC84926 protein, related 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative 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
Cryptosporidium hominis thioredoxin reductase 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione 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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 braziliensis trypanothione reductase 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
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ap endonuclease 0.0041 0.0369 0.0305
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.1367 0.1796
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0369 0.0305
Schistosoma mansoni lamin 0.0028 0.0185 0.012
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0369 0.0485
Onchocerca volvulus 0.0113 0.1382 0.7557
Brugia malayi hypothetical protein 0.014 0.1768 0.2324
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0369 0.5738
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0066 0.0087
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0369 0.5738
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0594 0.0531
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1834 1
Echinococcus granulosus survival motor neuron protein 1 0.0553 0.7608 0.7593
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0369 0.5738
Toxoplasma gondii exonuclease III APE 0.0041 0.0369 0.5738
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0234 0.3092 0.3047
Echinococcus granulosus leukotriene A 4 hydrolase 0.0234 0.3092 0.3047
Loa Loa (eye worm) hypothetical protein 0.0076 0.0866 0.1139
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0369 1
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0369 1
Entamoeba histolytica hypothetical protein 0.0081 0.0927 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1834 1
Schistosoma mansoni survival motor neuron protein 0.0113 0.1382 0.1324
Echinococcus multilocularis musashi 0.0028 0.0185 0.012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.1367 0.1796
Schistosoma mansoni hypothetical protein 0.0035 0.0286 0.0222
Schistosoma mansoni intermediate filament proteins 0.0028 0.0185 0.012
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0369 0.0485
Schistosoma mansoni hypothetical protein 0.0194 0.2528 0.2478
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0369 1
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0927 0.0866
Plasmodium falciparum glutathione reductase 0.0057 0.0594 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0594 1
Brugia malayi intermediate filament protein 0.0028 0.0185 0.0244
Echinococcus multilocularis geminin 0.0194 0.2528 0.2478
Mycobacterium tuberculosis Probable reductase 0.013 0.1628 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0594 0.2985
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0369 1
Entamoeba histolytica hypothetical protein 0.0081 0.0927 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0594 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0066 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0286 0.0222
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0594 0.078
Entamoeba histolytica hypothetical protein 0.0081 0.0927 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0369 0.5738
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0866 0.1139
Brugia malayi hypothetical protein 0.0553 0.7608 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0286 0.0376
Echinococcus granulosus intermediate filament protein 0.0028 0.0185 0.012
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0185 0.0244
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1628 0.8837
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0369 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0369 0.0305
Echinococcus multilocularis GPCR, family 2 0.0035 0.0286 0.0222
Schistosoma mansoni hypothetical protein 0.0113 0.1382 0.1324
Echinococcus granulosus geminin 0.0194 0.2528 0.2478
Echinococcus multilocularis lamin dm0 0.0028 0.0185 0.012
Schistosoma mansoni hypothetical protein 0.0076 0.0866 0.0806
Loa Loa (eye worm) hypothetical protein 0.0112 0.1367 0.1796
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0594 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0369 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0286 0.0376
Echinococcus multilocularis survival motor neuron protein 1 0.0553 0.7608 0.7593
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0286 0.0222
Brugia malayi glutathione reductase 0.0057 0.0594 0.078
Loa Loa (eye worm) hypothetical protein 0.0553 0.7608 1
Schistosoma mansoni hypothetical protein 0.0035 0.0286 0.0222
Echinococcus multilocularis microtubule associated protein 2 0.0722 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0594 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0927 0.0866
Schistosoma mansoni hypothetical protein 0.0081 0.0927 0.0866
Loa Loa (eye worm) hypothetical protein 0.014 0.1768 0.2324
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0286 0.0376
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0185 0.0244
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1834 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0234 0.3092 0.4065
Schistosoma mansoni hypothetical protein 0.0035 0.0286 0.0222
Brugia malayi hypothetical protein 0.0107 0.1306 0.1717
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0286 0.0222
Loa Loa (eye worm) hypothetical protein 0.0028 0.0185 0.0244
Entamoeba histolytica hypothetical protein 0.0081 0.0927 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0594 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0376
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0185 0.0244
Loa Loa (eye worm) hypothetical protein 0.0028 0.0178 0.0234
Schistosoma mansoni hypothetical protein 0.0194 0.2528 0.2478
Brugia malayi hypothetical protein 0.0081 0.0927 0.1218
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1834 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.1367 0.1796
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1628 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1628 0.8837
Echinococcus multilocularis lamin 0.0028 0.0185 0.012
Leishmania major trypanothione reductase 0.0057 0.0594 1
Onchocerca volvulus Huntingtin homolog 0.014 0.1768 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0369 0.5738
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0594 0.0531
Schistosoma mansoni ap endonuclease 0.0041 0.0369 0.0305
Schistosoma mansoni lamin 0.0028 0.0185 0.012
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1628 0.8837
Loa Loa (eye worm) hypothetical protein 0.014 0.1768 0.2324
Schistosoma mansoni hypothetical protein 0.0035 0.0286 0.0222
Brugia malayi Thioredoxin reductase 0.0057 0.0594 0.078
Echinococcus granulosus lamin dm0 0.0028 0.0185 0.012
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0113 0.1382 0.1816
Toxoplasma gondii thioredoxin reductase 0.0057 0.0594 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0369 0.5738
Schistosoma mansoni microtubule-associated protein tau 0.0722 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1628 0.8837
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0286 0.0222
Echinococcus granulosus lamin 0.0028 0.0185 0.012
Onchocerca volvulus Huntingtin homolog 0.014 0.1768 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0594 0.078
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0927 0.0866
Echinococcus granulosus GPCR family 2 0.0035 0.0286 0.0222
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0234 0.3092 0.3047
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0369 0.1713

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3294 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 17.7828 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) = 25.1189 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 (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) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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