Detailed information for compound 1553678

Basic information

Technical information
  • TDR Targets ID: 1553678
  • Name: (4-chlorophenyl) 3-methyl-5-nitroimidazole-4- sulfonate
  • MW: 317.706 | Formula: C10H8ClN3O5S
  • H donors: 0 H acceptors: 5 LogP: 2.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)OS(=O)(=O)c1n(C)cnc1[N+](=O)[O-]
  • InChi: 1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3
  • InChiKey: VCBIEXLZPZYLOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate
  • 3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester
  • 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-chlorophenyl) ester
  • 6954-34-3
  • NSC38086

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis thioredoxin 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
Plasmodium knowlesi thioredoxin reductase, putative 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi trypanothione 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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 infantum protein kinase, putative,polo-like protein kinase, putative 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
Plasmodium falciparum glutathione reductase 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 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Theileria parva 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii 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 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
Plasmodium falciparum thioredoxin 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Glutathione reductase, related 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani trypanothione reductase 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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
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
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi serine/threonine-protein kinase plk-2 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis thioredoxin 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii glutathione 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis serine:threonine protein kinase PLK1 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
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 489 aa 22.9 %
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 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
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 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, 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 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0108 0.3448 0.3409
Loa Loa (eye worm) hypothetical protein 0.0082 0.1708 0.1711
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0108 0.3448 0.3454
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0204 0.9982 1
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.3448 0.3454
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4959 0.8342
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0204 0.9982 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0204 0.9982 1
Brugia malayi hypothetical protein 0.0096 0.2664 0.2669
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.5944 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0096 0.2664 0.2669
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 0.9982 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 0.9982 0.9982
Brugia malayi TAR-binding protein 0.0076 0.1315 0.1317
Schistosoma mansoni nuclear receptor nhr-48 0.0096 0.2664 0.2621
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1315 0.1263
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3862 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 0.9982 0.9982
Schistosoma mansoni nuclear receptor 0.0096 0.2664 0.2621
Plasmodium vivax glutathione reductase, putative 0.0057 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0096 0.2664 0.2669
Schistosoma mansoni nuclear hormone receptor 0.0096 0.2664 0.2621
Echinococcus granulosus thyroid hormone receptor alpha 0.0096 0.2664 0.2664
Loa Loa (eye worm) RNA binding protein 0.0076 0.1315 0.1317
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 0.9982 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 0.9982 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.5944 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0108 0.3448 0.3448
Mycobacterium tuberculosis Probable reductase 0.013 0.4959 0.8342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0108 0.3448 0.3409
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.5944 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.2664 0.2664
Brugia malayi nuclear hormone receptor 0.0096 0.2664 0.2669
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1315 0.1315
Brugia malayi nuclear receptor NHR-88 0.0204 0.9982 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 0.9982 1
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.3448 0.3454
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 0.9982 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0204 0.9982 0.9982
Brugia malayi Nuclear hormone receptor-like 1 0.0204 0.9982 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0204 0.9982 0.9982
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1315 0.1263
Schistosoma mansoni nuclear hormone receptor 0.0204 0.9982 0.9982
Loa Loa (eye worm) nuclear hormone receptor 0.0096 0.2664 0.2669
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0204 0.9982 0.9982
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0096 0.2664 0.2664
Schistosoma mansoni thyroid hormone receptor 0.0204 0.9982 0.9982
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0204 0.9982 0.9982
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1315 0.1317
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0204 0.9982 0.9982
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.2664 0.2664
Loa Loa (eye worm) steroid hormone receptor 0.0204 0.9982 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3862 0.3862
Echinococcus multilocularis nuclear receptor nhr 48 0.0096 0.2664 0.2664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.4291 0.4298
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0204 0.9982 1
Toxoplasma gondii thioredoxin reductase 0.0057 0 0.5
Trypanosoma brucei polo-like protein kinase 0.0114 0.3862 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3862 0.3868
Schistosoma mansoni hypothetical protein 0.0205 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0204 0.9982 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1315 0.1317
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Schistosoma mansoni zinc finger protein 0.0096 0.2664 0.2621
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0204 0.9982 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0096 0.2664 0.2664
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0096 0.2664 0.2664
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3862 1
Echinococcus multilocularis geminin 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.3448 0.3454
Echinococcus multilocularis thyroid hormone receptor alpha 0.0204 0.9982 0.9982
Brugia malayi hypothetical protein 0.0108 0.3448 0.3454
Schistosoma mansoni hypothetical protein 0.0205 1 1
Giardia lamblia Kinase, PLK 0.0114 0.3862 0.5
Brugia malayi Nuclear hormone receptor E75 0.0096 0.2664 0.2669
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.2664 0.2664
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Plasmodium falciparum glutathione reductase 0.0057 0 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.4291 0.4298
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0096 0.2664 0.2664
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.4291 0.4298
Echinococcus granulosus FTZ F1 alpha 0.0204 0.9982 0.9982
Onchocerca volvulus Bile acid receptor homolog 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.3448 0.3454
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Brugia malayi orphan nuclear receptor NR2E1 0.0096 0.2664 0.2669
Echinococcus multilocularis FTZ F1 alpha 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0096 0.2664 0.2621
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4959 0.8342
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3862 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0204 0.9982 0.9982
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0096 0.2664 0.2669
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3862 0.1636
Brugia malayi nuclear receptor RXR 0.0096 0.2664 0.2669
Schistosoma mansoni thyroid hormone receptor 0.0204 0.9982 0.9982
Brugia malayi nuclear hormone receptor 0.0204 0.9982 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4959 0.8342
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0204 0.9982 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0204 0.9982 1
Schistosoma mansoni hypothetical protein 0.0082 0.1708 0.1659
Schistosoma mansoni steroid hormone receptor ad4bp 0.0204 0.9982 0.9982
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1315 0.1263
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3862 0.3825
Brugia malayi ecdysone receptor 0.0096 0.2664 0.2669
Brugia malayi conserved hypotetical protein 0.0096 0.2664 0.2669
Brugia malayi ecdysteroid receptor 0.0204 0.9982 1
Brugia malayi hypothetical protein 0.0108 0.3448 0.3454
Brugia malayi steroid hormone receptor 0.0204 0.9982 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1315 0.1263
Schistosoma mansoni nuclear receptor 0.0096 0.2664 0.2621
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Echinococcus granulosus tar DNA binding protein 0.0076 0.1315 0.1315
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0204 0.9982 1
Brugia malayi RNA binding protein 0.0076 0.1315 0.1317
Schistosoma mansoni nuclear hormone receptor 0.0096 0.2664 0.2621
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0204 0.9982 0.9982
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.5944 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0204 0.9982 1
Echinococcus granulosus ecdysone induced protein 78C 0.0204 0.9982 0.9982
Brugia malayi hypothetical protein 0.0096 0.2664 0.2669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 0.9982 0.9982
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1315 0.1263
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0204 0.9982 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0204 0.9982 0.9982
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0204 0.9982 0.9982
Onchocerca volvulus 0.0204 0.9982 1
Loa Loa (eye worm) DR-78 0.0096 0.2664 0.2669
Plasmodium vivax thioredoxin reductase, putative 0.0057 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Brugia malayi Steroid receptor seven-up type 2 0.0204 0.9982 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0204 0.9982 0.9982
Loa Loa (eye worm) nuclear receptor NHR-67 0.0096 0.2664 0.2669
Brugia malayi nuclear hormone receptor family member nhr-6 0.0096 0.2664 0.2669
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3862 0.3862
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Echinococcus granulosus nuclear receptor nhr 48 0.0096 0.2664 0.2664
Brugia malayi photoreceptor-specific nuclear receptor 0.0204 0.9982 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4959 0.8342
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.1708 0.1711
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 0.9982 1
Brugia malayi nuclear receptor NHR-88 0.0096 0.2664 0.2669
Brugia malayi tailless protein 0.0096 0.2664 0.2669
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4959 0.8342
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0204 0.9982 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3862 0.3868
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0096 0.2664 0.2664
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0204 0.9982 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.3448 0.3454
Plasmodium falciparum thioredoxin reductase 0.0057 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 0.9982 0.9982
Schistosoma mansoni coup transcription factor 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Echinococcus multilocularis ecdysone induced protein 78C 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0108 0.3448 0.3454
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0204 0.9982 0.9982
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3862 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0204 0.9982 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0204 0.9982 0.9982
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.2664 0.2664
Loa Loa (eye worm) hypothetical protein 0.0204 0.9982 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.4291 0.4298
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0096 0.2664 0.2621
Brugia malayi nuclear receptor RXR 0.0108 0.3448 0.3454
Loa Loa (eye worm) hypothetical protein 0.0096 0.2664 0.2669
Schistosoma mansoni retinoic acid receptor RXR 0.0204 0.9982 0.9982
Loa Loa (eye worm) hypothetical protein 0.0108 0.3448 0.3454
Brugia malayi nuclear receptor NHR-67 0.0096 0.2664 0.2669
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3862 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0204 0.9982 0.9982
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0108 0.3448 0.3448
Schistosoma mansoni RAR-like nuclear receptor 0.0204 0.9982 0.9982
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0096 0.2664 0.2669
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1315 0.1317

Activities

Activity type Activity value Assay description Source Reference
AbsAC1000_uM (functional) = 6.397 uM PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] ChEMBL. No reference
AbsAC40_uM (functional) 1.31 uM PubChem BioAssay. In vivo-based yeast HTS counterscreen to detect compounds rescuing yeast growth/survival of Saccharomyces cerevisiae SKN7-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 42.84 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 49.727 uM PubChem BioAssay. Counterscreen for inhibitors of the interaction of nucleotide-binding oligomerization domain containing 2 (NOD2) and receptor-interacting serine-threonine kinase 2 (RIPK2): Fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3162 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) 2.8184 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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) 22.3872 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 binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 25.1189 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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