Detailed information for compound 1502919

Basic information

Technical information
  • TDR Targets ID: 1502919
  • Name: 2-[[4-(4-fluorophenyl)sulfonyl-2-furan-2-yl-1 ,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl )acetamide
  • MW: 466.503 | Formula: C20H19FN2O6S2
  • H donors: 1 H acceptors: 4 LogP: 2.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1oc(nc1S(=O)(=O)c1ccc(cc1)F)c1ccco1)NCC1CCCO1
  • InChi: 1S/C20H19FN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24)
  • InChiKey: GERYPDLJHCJOSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-fluorophenyl)sulfonyl-2-(2-furyl)oxazol-5-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[[4-(4-fluorophenyl)sulfonyl-2-(2-furyl)-5-oxazolyl]thio]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[[4-(4-fluorophenyl)sulfonyl-2-(2-furyl)oxazol-5-yl]thio]-N-(tetrahydrofurfuryl)acetamide
  • 2-[[4-(4-fluorophenyl)sulfonyl-2-furan-2-yl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide
  • MLS000104034
  • SMR000016120
  • MLS000086680

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani trypanothione 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione 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
Brugia malayi 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis 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 cruzi trypanothione reductase, putative 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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 yoelii thioredoxin 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
Babesia bovis thiodoxin 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis 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
Theileria parva thioredoxin reductase, putative 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania major 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 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Protein kinase domain containing protein 0.0096 0.0868 0.0845
Leishmania major trypanothione reductase 0.0057 0.0197 0.2035
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0051 0.0094 0.007
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0044 0.0019
Plasmodium vivax serine/threonine kinase-1, putative 0.0066 0.0342 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0044 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0165 0.0142
Plasmodium falciparum thioredoxin reductase 0.0057 0.0197 0.5417
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0096 0.0868 1
Giardia lamblia Kinase, CMGC CLK 0.0066 0.0342 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0158 0.0158
Schistosoma mansoni tyrosine kinase 0.0328 0.4841 0.49
Schistosoma mansoni nephrin 0.0048 0.0048 0.0023
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1449 0.1405
Trichomonas vaginalis CMGC family protein kinase 0.0066 0.0342 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0165 0.0142
Toxoplasma gondii thioredoxin reductase 0.0057 0.0197 0.1703
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0165 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0165 0.0142
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0096 0.0868 0.0868
Loa Loa (eye worm) hypothetical protein 0.0061 0.0263 0.0263
Mycobacterium tuberculosis Conserved hypothetical protein 0.0106 0.1033 0.0938
Schistosoma mansoni tyrosine kinase 0.0201 0.2658 0.2679
Brugia malayi glutathione reductase 0.0057 0.0197 0.0172
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1449 0.1405
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0578 0.911 0.5
Echinococcus granulosus hypothetical protein 0.0064 0.0317 0.0297
Brugia malayi Protein kinase domain containing protein 0.0201 0.2658 0.264
Entamoeba histolytica hypothetical protein 0.0096 0.0868 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0165 0.0142
Echinococcus granulosus roundabout 2 0.0061 0.0263 0.0241
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.0025 0.0025
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.247 0.2487
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0197 0.0175
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0096 0.0868 1
Echinococcus granulosus neuroglian 0.0048 0.0048 0.0023
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0158 0.0135
Loa Loa (eye worm) hypothetical protein 0.0131 0.146 0.146
Brugia malayi Thioredoxin reductase 0.0057 0.0197 0.0172
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.0342 0.3757
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0066 0.0342 0.3757
Plasmodium falciparum protein serine/threonine kinase-1 0.0066 0.0342 1
Echinococcus multilocularis 0.0064 0.0317 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0165 0.0142
Echinococcus granulosus insulin receptor 0.0201 0.2658 0.2679
Plasmodium vivax glutathione reductase, putative 0.0057 0.0197 0.5417
Loa Loa (eye worm) hypothetical protein 0.0048 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0095 0.0843 0.0843
Leishmania major protein kinase, putative 0.0066 0.0342 0.3757
Schistosoma mansoni tyrosine kinase 0.0328 0.4841 0.49
Echinococcus multilocularis roundabout 2 0.0061 0.0263 0.0241
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.0342 0.3757
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0047 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0095 0.0843 0.0843
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.0025 0.0025
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0868 0.0858
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0197 0.5417
Brugia malayi Furin-like cysteine rich region family protein 0.0621 0.9854 0.9854
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0165 0.0165
Schistosoma mansoni tyrosine kinase 0.0335 0.4961 0.5022
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0066 0.0342 0.3757
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0578 0.911 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0094 0.0094
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0044 0.0044
Echinococcus multilocularis epidermal growth factor receptor 0.0621 0.9854 1
Schistosoma mansoni tyrosine kinase 0.0621 0.9854 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.0868 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0066 0.0342 0.0322
Loa Loa (eye worm) MBCTL1 0.0055 0.0158 0.0158
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1698 0.1684
Loa Loa (eye worm) glutathione reductase 0.0057 0.0197 0.0197
Brugia malayi hypothetical protein 0.0131 0.146 0.1438
Onchocerca volvulus 0.0572 0.9005 0.9688
Loa Loa (eye worm) hypothetical protein 0.0273 0.39 0.39
Echinococcus multilocularis 0.0191 0.2492 0.251
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1698 0.1684
Treponema pallidum licC protein (licC) 0.0106 0.1033 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0044 0.0019
Loa Loa (eye worm) hypothetical protein 0.0131 0.146 0.146
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0273 0.39 0.3942
Trypanosoma brucei trypanothione reductase 0.0057 0.0197 0.2035
Entamoeba histolytica protein kinase, putative 0.0096 0.0868 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1698 0.1684
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1698 0.0325
Onchocerca volvulus Tyrosine kinase homolog 0.0588 0.9294 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0044 0.0019
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0197 0.2035
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0197 0.0175
Schistosoma mansoni hypothetical protein 0.0293 0.4233 0.4281
Schistosoma mansoni hypothetical protein 0.0171 0.2149 0.2161
Loa Loa (eye worm) hypothetical protein 0.0061 0.0263 0.0263
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.0868 1
Echinococcus granulosus geminin 0.0171 0.2149 0.2161
Echinococcus multilocularis neuroglian 0.0048 0.0048 0.0023
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0273 0.39 0.3942
Echinococcus granulosus dual specificity 0.0096 0.0868 0.0858
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0201 0.2658 0.2679
Brugia malayi mbt repeat family protein 0.0048 0.0044 0.0019
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0335 0.4961 0.5022
Schistosoma mansoni tyrosine kinase 0.0328 0.4841 0.49
Loa Loa (eye worm) hypothetical protein 0.0064 0.0317 0.0317
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0044 0.0019
Loa Loa (eye worm) TK/EGFR protein kinase 0.0621 0.9854 0.9854
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1449 0.1405
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0197 0.0197
Brugia malayi Protein kinase domain containing protein 0.0066 0.0342 0.0318
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0201 0.2658 0.2679
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0578 0.911 1
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0106 0.1033 1
Entamoeba histolytica protein kinase, putative 0.0096 0.0868 1
Echinococcus granulosus twitchin 0.005 0.0073 0.0048
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0158 0.0133
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1449 0.1405
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.247 0.2487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0165 0.014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1449 0.1405
Mycobacterium tuberculosis Conserved hypothetical protein 0.0106 0.1033 0.0938
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0578 0.911 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0066 0.0342 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0342 0.0322
Loa Loa (eye worm) TK/INSR protein kinase 0.0201 0.2658 0.2658
Echinococcus granulosus epidermal growth factor receptor 0.0621 0.9854 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0066 0.0342 0.0342
Loa Loa (eye worm) TK/KIN16 protein kinase 0.063 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0158 0.0135
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.0868 1
Schistosoma mansoni hypothetical protein 0.0171 0.2149 0.2161
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0158 0.0135
Schistosoma mansoni cell adhesion molecule 0.0051 0.0094 0.007
Mycobacterium tuberculosis Probable reductase 0.013 0.1449 0.1405
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0165 0.0142
Leishmania major protein kinase, putative 0.0066 0.0342 0.3757
Schistosoma mansoni tyrosine kinase 0.0201 0.2658 0.2679
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.0342 0.3757
Echinococcus multilocularis insulin receptor 0.0201 0.2658 0.2679
Echinococcus granulosus epidermal growth factor receptor 0.0335 0.4961 0.5022
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0044 0.0019
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0158 0.0135
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0273 0.39 0.3942
Brugia malayi mbt repeat family protein 0.0048 0.0044 0.0019
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0044 0.0019
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0158 0.0135
Echinococcus multilocularis geminin 0.0171 0.2149 0.2161
Echinococcus multilocularis epidermal growth factor receptor 0.0335 0.4961 0.5022
Schistosoma mansoni tyrosine kinase 0.0335 0.4961 0.5022
Plasmodium falciparum glutathione reductase 0.0057 0.0197 0.5417
Echinococcus multilocularis dual specificity 0.0096 0.0868 0.0858
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0342 0.0322
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0066 0.0342 0.3144
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.0342 0.3757

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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 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 HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) 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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