Detailed information for compound 1923119

Basic information

Technical information
  • TDR Targets ID: 1923119
  • Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(2-fluoro phenyl)methylsulfonyl]pyrimidine-4-carboxamid e
  • MW: 465.882 | Formula: C20H17ClFN3O5S
  • H donors: 1 H acceptors: 5 LogP: 3.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1F)OC
  • InChi: 1S/C20H17ClFN3O5S/c1-29-13-7-8-17(30-2)16(9-13)24-19(26)18-14(21)10-23-20(25-18)31(27,28)11-12-5-3-4-6-15(12)22/h3-10H,11H2,1-2H3,(H,24,26)
  • InChiKey: NZXVRDUUXMZZDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamide
  • 5-chloro-N-(2,5-dimethoxyphenyl)-2-(2-fluorobenzyl)sulfonyl-pyrimidine-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
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
Echinococcus granulosus thioredoxin glutathione 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
Leishmania mexicana trypanothione 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
Trypanosoma congolense trypanothione reductase, putative 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 yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei thioredoxin reductase, putative 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
Cryptosporidium parvum thioredoxin reductase 1 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Leishmania major trypanothione 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis 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
Neospora caninum MGC84926 protein, related 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
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
Loa Loa (eye worm) glutathione 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
Plasmodium falciparum glutathione reductase 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
Leishmania donovani 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
Leishmania infantum 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania major 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 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania infantum 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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, 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 %
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 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
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 %
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, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
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 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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
Echinococcus granulosus orexin receptor type 2 0.0036 0.1378 0.5215
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7767 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0036 0.1378 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Onchocerca volvulus 0.0036 0.1378 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0036 0.1378 0.1774
Echinococcus granulosus neuropeptides capa receptor 0.0036 0.1378 0.5215
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0036 0.1378 0.5215
Schistosoma mansoni neuropeptide receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni amine GPCR 0.0036 0.1378 0.1378
Schistosoma mansoni histamine h1 receptor 0.0036 0.1378 0.1378
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi Thioredoxin reductase 0.0057 0.2643 0.3402
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0446 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0036 0.1378 0.1774
Echinococcus multilocularis neuropeptide receptor 0.0036 0.1378 0.5215
Echinococcus multilocularis serotonin receptor 0.0036 0.1378 0.5215
Brugia malayi sulfakinin receptor protein 0.0036 0.1378 0.1774
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0.1378 0.1378
Echinococcus multilocularis g protein coupled receptor 0.0036 0.1378 0.5215
Echinococcus granulosus neuropeptide Y receptor 0.0036 0.1378 0.5215
Brugia malayi GnHR receptor homolog 0.0036 0.1378 0.1774
Brugia malayi MH2 domain containing protein 0.0144 0.7767 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Echinococcus granulosus g protein coupled receptor 0.0036 0.1378 0.5215
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0446 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Echinococcus granulosus somatostatin receptor 0.0036 0.1378 0.5215
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Onchocerca volvulus 0.0036 0.1378 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0.1378 0.1378
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2643 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni neuropeptide receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis fmrfamide receptor 0.0036 0.1378 0.5215
Trypanosoma brucei trypanothione reductase 0.0057 0.2643 1
Onchocerca volvulus 0.0036 0.1378 1
Treponema pallidum NADH oxidase 0.002 0.0446 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0036 0.1378 0.5215
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0036 0.1378 0.5215
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0036 0.1378 0.1378
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.1378 0.1378
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.1378 0.1378
Echinococcus granulosus peptide allatostatin:somatostatin 0.0036 0.1378 0.5215
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Schistosoma mansoni amine GPCR 0.0036 0.1378 0.1378
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Echinococcus multilocularis sex peptide receptor 0.0036 0.1378 0.5215
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni opsin-like receptor 0.0036 0.1378 0.1378
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0036 0.1378 0.5215
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6948 0.8837
Brugia malayi Melatonin receptor type 1A 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Leishmania major trypanothione reductase 0.0057 0.2643 1
Loa Loa (eye worm) neuropeptide F receptor 0.0036 0.1378 0.1774
Schistosoma mansoni alpha-1 adrenergic receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni myosin xvIII 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus g-protein coupled receptor 0.0036 0.1378 0.5215
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi neuropeptide F receptor 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0.1378 0.5215
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0036 0.1378 0.1378
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0.1378 0.1378
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) glutathione reductase 0.0057 0.2643 0.3402
Echinococcus multilocularis g-protein coupled receptor 0.0036 0.1378 0.5215
Echinococcus granulosus serotonin receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi larval opioid receptor 0.0036 0.1378 0.1774
Brugia malayi putative neuropeptide receptor NPR1 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0446 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0036 0.1378 0.1378
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Onchocerca volvulus 0.0036 0.1378 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0036 0.1378 0.1774
Brugia malayi RE15519p 0.0036 0.1378 0.1774
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni growth hormone secretagogue receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus g protein coupled receptor 0.0036 0.1378 0.5215
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0446 0.1689
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2643 0.3402
Brugia malayi G protein-coupled receptor F59B2.13 0.0036 0.1378 0.1774
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.1378 0.5215
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0446 0.1689
Echinococcus multilocularis G-protein coupled receptor, putative 0.0036 0.1378 0.5215
Echinococcus granulosus hypothetical protein 0.0036 0.1378 0.5215
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7804 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0036 0.1378 0.1378
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Onchocerca volvulus 0.0036 0.1378 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0446 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0.1378 0.5215
Brugia malayi Serotonin receptor 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0446 0.0446
Loa Loa (eye worm) neuropeptide F receptor 0.0036 0.1378 0.1774
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0137 0.0177
Echinococcus granulosus fmrfamide receptor 0.0036 0.1378 0.5215
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0446 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.1378 0.1378
Echinococcus granulosus 7TM GPCR rhodopsin 0.0036 0.1378 0.5215
Echinococcus granulosus g protein coupled receptor 0.0036 0.1378 0.5215
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0137 0.0177
Echinococcus granulosus biogenic amine 5HT receptor 0.0036 0.1378 0.5215
Onchocerca volvulus 0.0036 0.1378 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0036 0.1378 0.5215
Echinococcus granulosus neuropeptide receptor A26 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6948 0.8837
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0446 0.0575
Echinococcus granulosus neuropeptide FF receptor 2 0.0036 0.1378 0.5215
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0446 0.5
Echinococcus multilocularis allatostatin A receptor 0.0036 0.1378 0.5215
Schistosoma mansoni biogenic amine receptor 0.0036 0.1378 0.1378
Plasmodium vivax glutathione reductase, putative 0.0057 0.2643 1
Loa Loa (eye worm) G-protein coupled receptor 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0036 0.1378 0.1774
Schistosoma mansoni amine GPCR 0.0036 0.1378 0.1378
Echinococcus multilocularis fmrfamide receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2643 0.2985
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi Serotonin receptor 0.0036 0.1378 0.1774
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Echinococcus granulosus allatostatin A receptor 0.0036 0.1378 0.5215
Plasmodium falciparum thioredoxin reductase 0.0057 0.2643 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis g protein coupled receptor 0.0036 0.1378 0.5215
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2643 1
Schistosoma mansoni adenoreceptor 0.0036 0.1378 0.1378
Echinococcus multilocularis neuropeptide s receptor 0.0036 0.1378 0.5215
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Onchocerca volvulus 0.0036 0.1378 1
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Onchocerca volvulus 0.0036 0.1378 1
Echinococcus multilocularis serotonin receptor 0.0036 0.1378 0.5215
Onchocerca volvulus 0.0036 0.1378 1
Brugia malayi neuropeptide F receptor 0.0036 0.1378 0.1774
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis neuropeptide receptor A26 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Schistosoma mansoni amine GPCR 0.0036 0.1378 0.1378
Schistosoma mansoni biogenic amine receptor 0.0036 0.1378 0.1378
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni hypothetical protein 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0036 0.1378 0.1774
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.1378 0.5215
Schistosoma mansoni hypothetical protein 0.0036 0.1378 0.1378
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0446 0.5
Echinococcus granulosus sex peptide receptor 0.0036 0.1378 0.5215
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0036 0.1378 0.5215
Schistosoma mansoni amine GPCR 0.0036 0.1378 0.1378
Onchocerca volvulus 0.0036 0.1378 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0036 0.1378 0.5215
Echinococcus granulosus G protein coupled receptor 139 0.0036 0.1378 0.5215
Echinococcus multilocularis neuropeptide receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) TYRA-2 protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2643 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis G protein coupled receptor 139 0.0036 0.1378 0.5215
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6948 0.8837
Echinococcus multilocularis g protein coupled receptor 0.0036 0.1378 0.5215
Brugia malayi putative neuropeptide receptor 0.0036 0.1378 0.1774
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0.1378 0.5215
Echinococcus granulosus neuropeptides capa receptor 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni opsin-like receptor 0.0036 0.1378 0.1378
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) G-protein coupled receptor 0.0036 0.1378 0.1774
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0036 0.1378 0.1378
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0.1378 0.5215
Brugia malayi follicle stimulating hormone receptor 0.0036 0.1378 0.1774
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0.1378 0.1378
Schistosoma mansoni neuropeptide receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7804 1
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0.1378 0.5215
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0446 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0036 0.1378 0.5215
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0036 0.1378 0.1378
Plasmodium falciparum glutathione reductase 0.0057 0.2643 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0036 0.1378 0.1378
Onchocerca volvulus 0.0036 0.1378 1
Onchocerca volvulus 0.0036 0.1378 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7804 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0036 0.1378 0.5215
Brugia malayi Dopamine receptor protein 1 0.0036 0.1378 0.1774
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.1378 0.5215
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0.1378 0.5215
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0036 0.1378 0.5215
Brugia malayi Dopamine receptor 0.0036 0.1378 0.1774
Brugia malayi G-protein coupled receptor 0.0036 0.1378 0.1774
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.1378 0.5215
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2643 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6948 0.8837
Brugia malayi ORL1-like opioid receptor 0.0036 0.1378 0.1774
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni opsin-like receptor 0.0036 0.1378 0.1378
Brugia malayi glutathione reductase 0.0057 0.2643 0.3402
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6948 0.8837
Onchocerca volvulus 0.0036 0.1378 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Schistosoma mansoni biogenic amine receptor 0.0036 0.1378 0.1378
Echinococcus multilocularis orexin receptor type 2 0.0036 0.1378 0.5215
Onchocerca volvulus 0.0036 0.1378 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7804 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0036 0.1378 0.1774
Echinococcus multilocularis neuropeptide FF receptor 2 0.0036 0.1378 0.5215
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0036 0.1378 0.5215
Echinococcus granulosus dro:myosuppressin receptor 0.0036 0.1378 0.5215
Schistosoma mansoni hypothetical protein 0.0036 0.1378 0.1378
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0.1378 0.1378
Echinococcus granulosus neuropeptide Y receptor 0.0036 0.1378 0.5215
Echinococcus granulosus neuropeptide receptor 0.0036 0.1378 0.5215
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0446 0.5
Brugia malayi G-protein coupled receptor 0.0036 0.1378 0.1774
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0036 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0.1378 0.5215
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0036 0.1378 0.1774
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0036 0.1378 0.1378
Onchocerca volvulus 0.0036 0.1378 1
Schistosoma mansoni neuropeptide receptor 0.0036 0.1378 0.1378
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7767 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0036 0.1378 0.5215
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Loa Loa (eye worm) hypothetical protein 0.0036 0.1378 0.1774
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0036 0.1378 0.5215
Echinococcus granulosus tachykinin peptides receptor 99D 0.0036 0.1378 0.5215
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.1378 0.1378
Echinococcus multilocularis somatostatin receptor 0.0036 0.1378 0.5215
Brugia malayi AKH receptor 0.0036 0.1378 0.1774
Onchocerca volvulus 0.0036 0.1378 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.2643 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0036 0.1378 0.1774
Brugia malayi hypothetical protein 0.0036 0.1378 0.1774
Brugia malayi G protein-coupled receptor 0.0036 0.1378 0.1774
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0036 0.1378 0.1774
Brugia malayi Dopamine receptor protein 2 0.0036 0.1378 0.1774
Echinococcus granulosus biogenic amine 5HT receptor 0.0036 0.1378 0.5215
Mycobacterium tuberculosis Probable reductase 0.013 0.6948 0.8837
Echinococcus granulosus neuropeptide receptor 0.0036 0.1378 0.5215
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0036 0.1378 0.5215
Echinococcus granulosus neuropeptide s receptor 0.0036 0.1378 0.5215
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.1378 0.1378
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0036 0.1378 0.1774
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0036 0.1378 1
Onchocerca volvulus 0.0036 0.1378 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 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) 3.1623 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) 3.1623 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) 3.9811 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) 4.4668 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) 16.3601 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Beta-Lactamase Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

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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