Detailed information for compound 1447690

Basic information

Technical information
  • TDR Targets ID: 1447690
  • Name: 2-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl )carbamothioyl]acetamide
  • MW: 389.899 | Formula: C19H20ClN3O2S
  • H donors: 2 H acceptors: 1 LogP: 3.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccccc1N1CCOCC1)NC(=O)Cc1ccc(cc1)Cl
  • InChi: 1S/C19H20ClN3O2S/c20-15-7-5-14(6-8-15)13-18(24)22-19(26)21-16-3-1-2-4-17(16)23-9-11-25-12-10-23/h1-8H,9-13H2,(H2,21,22,24,26)
  • InChiKey: OVGDVQQRNWPDHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenyl)-N-[(2-morpholinophenyl)carbamothioyl]acetamide
  • 2-(4-chlorophenyl)-N-[[(2-morpholinophenyl)amino]-thioxomethyl]acetamide
  • 2-(4-chlorophenyl)-N-[(2-morpholinophenyl)thiocarbamoyl]acetamide
  • 2-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]ethanamide
  • 2-(4-chlorophenyl)-N-({[2-(4-morpholinyl)phenyl]amino}carbonothioyl)acetamide
  • MLS000578549
  • SMR000197736
  • ZINC01112949
  • STOCK3S-59297

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis trypanothione 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax thioredoxin 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase 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
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
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 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania infantum 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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 %
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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin 0.0033 0.0549 0.0549
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0057
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3008 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.112 0.1742
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0078 0.1703 0.1703
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0227 0.0354
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0079 0.1727 0.1727
Echinococcus multilocularis 0.0188 0.4453 0.4453
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0227 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0037 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0057
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3008 0.8837
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0079 0.1727 0.1727
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0037 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0057
Onchocerca volvulus 0.0078 0.1703 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0057
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0057
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0037
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0037 0.0037
Echinococcus multilocularis musashi 0.0033 0.0549 0.0549
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0057
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0037 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0057
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0329 0.0329
Brugia malayi hypothetical protein 0.0024 0.0329 0.0511
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0037 0.0037
Leishmania major trypanothione reductase 0.0057 0.1167 1
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0265 0.6403 0.6403
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0037 0.0057
Schistosoma mansoni hypothetical protein 0.0205 0.488 0.7593
Schistosoma mansoni protein kinase 0.0266 0.6427 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0057
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0329 0.0513
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Schistosoma mansoni hypothetical protein 0.0205 0.488 0.7593
Schistosoma mansoni lamin 0.0033 0.0549 0.0854
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0227 0.5
Echinococcus granulosus RUN 0.0024 0.0329 0.0329
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0057
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.3374 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0664 0.0664
Brugia malayi hypothetical protein 0.0078 0.1703 0.265
Loa Loa (eye worm) hypothetical protein 0.0265 0.6403 1
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0078 0.1703 1
Schistosoma mansoni lamin 0.0033 0.0549 0.0854
Trypanosoma brucei trypanothione reductase 0.0057 0.1167 0.6366
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0037 0.0057
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0037 0.0037
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0079 0.1727 0.1727
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0664 0.1033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0057
Brugia malayi glutathione reductase 0.0057 0.1167 0.1815
Loa Loa (eye worm) hypothetical protein 0.0078 0.1703 0.266
Brugia malayi probable protein kinase 0.0266 0.6427 1
Schistosoma mansoni rap gtpase-activating protein 0.0078 0.1703 0.265
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0602 1
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0079 0.1727 0.2697
Loa Loa (eye worm) hypothetical protein 0.0024 0.0329 0.0513
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0749 0.1166
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0079 0.1727 0.1727
Loa Loa (eye worm) hypothetical protein 0.0024 0.0329 0.0513
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0057
Schistosoma mansoni hypothetical protein 0.0078 0.1703 0.265
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.112 0.112
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0037
Echinococcus multilocularis lamin dm0 0.0033 0.0549 0.0549
Schistosoma mansoni hypothetical protein 0.0024 0.0329 0.0511
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0037 0.0057
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1167 0.1167
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.112 0.112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0057
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0329 0.1078
Schistosoma mansoni rab6-interacting 0.0024 0.0329 0.0511
Onchocerca volvulus 0.0033 0.0549 0.3076
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.1727 0.2687
Echinococcus multilocularis geminin 0.0205 0.488 0.488
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0227 0.5
Schistosoma mansoni rab6-interacting 0.0024 0.0329 0.0511
Treponema pallidum NADH oxidase 0.002 0.0227 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0057
Plasmodium falciparum thioredoxin reductase 0.0057 0.1167 1
Schistosoma mansoni loxhd1 0.0024 0.0329 0.0511
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1233 0.1918
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1167 0.6366
Loa Loa (eye worm) glutathione reductase 0.0057 0.1167 0.1822
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1167 0.2985
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0078 0.1703 0.265
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0037
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0095 0.0148
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0037
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3008 0.8837
Echinococcus granulosus Vam6:Vps39 protein 0.0078 0.1703 0.1703
Plasmodium vivax glutathione reductase, putative 0.0057 0.1167 1
Mycobacterium tuberculosis Probable reductase 0.013 0.3008 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0037 0.0057
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Brugia malayi Thioredoxin reductase 0.0057 0.1167 0.1815
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3008 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3008 0.8837
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0227 0.0227
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0037 0.0057
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0078 0.1703 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1703 0.266
Plasmodium falciparum glutathione reductase 0.0057 0.1167 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1703 0.266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.112 0.1742
Schistosoma mansoni coup transcription factor 0.0012 0.0037 0.0057
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0227 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0549 0.0549
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0057
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.0172
Onchocerca volvulus 0.0033 0.0549 0.3076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.112 0.1742
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0037 0.0057
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0549 0.0857
Echinococcus granulosus geminin 0.0205 0.488 0.488
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.3374 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0549 0.0854
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0057
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.1407 0.1407
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0168 0.0262
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0534 0.0834
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0079 0.1727 0.1727
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0095 0.0148
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0037 0.0057
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0749 0.1166
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0037 0.0057
Toxoplasma gondii thioredoxin reductase 0.0057 0.1167 1
Schistosoma mansoni lipoxygenase 0.0067 0.1407 0.219
Brugia malayi Temporarily assigned gene name protein 59 0.0078 0.1703 0.265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.006 0.1233 0.1925
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1167 0.1167
Brugia malayi steroid hormone receptor 0.0012 0.0037 0.0057
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0329 0.0329
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0078 0.1703 0.1703
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0227 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.3374 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.1727 0.2687
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Echinococcus multilocularis RUN 0.0024 0.0329 0.0329
Echinococcus granulosus intermediate filament protein 0.0033 0.0549 0.0549
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0078 0.1703 0.265
Brugia malayi nuclear hormone receptor 0.0012 0.0037 0.0057
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0037
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0227 0.0354
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0329 0.0329
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1167 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.112 0.112
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0032 0.054 0.0844
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0057
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0057
Onchocerca volvulus 0.0024 0.0329 0.1753
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0168 0.0263
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0037
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.112 0.1742
Onchocerca volvulus 0.006 0.1233 0.7178
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0037 0.0057
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0037 0.0057
Loa Loa (eye worm) hypothetical protein 0.0016 0.0125 0.0195
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0037 0.0057
Onchocerca volvulus 0.0024 0.0329 0.1753
Schistosoma mansoni protein kinase 0.0079 0.1727 0.2687
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0033 0.0549 0.0857
Brugia malayi intermediate filament protein 0.0033 0.0549 0.0854
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.3374 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0079 0.1727 0.1727
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0602 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0549 0.0854
Echinococcus granulosus protein kinase 0.0188 0.4453 0.4453
Brugia malayi nuclear receptor NHR-88 0.0012 0.0037 0.0057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.112 0.1749
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0037
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1167 0.1822
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0664 0.0664
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0329 0.1078
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0188 0.4453 0.6955
Brugia malayi Doublecortin family protein 0.0024 0.0329 0.0511
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0037 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0057
Echinococcus multilocularis lamin 0.0033 0.0549 0.0549
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0078 0.1703 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0057
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0057
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0037 0.0037
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0329 0.0329
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0037 0.0037
Schistosoma mansoni lipoxygenase 0.0024 0.0329 0.0511
Schistosoma mansoni polycystin 1-related 0.0024 0.0329 0.0511
Schistosoma mansoni protein kinase 0.0188 0.4453 0.6929
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0549 0.0857
Brugia malayi hypothetical protein 0.0024 0.0329 0.0511
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0329 0.0329
Schistosoma mansoni vam6/vps39 related 0.0078 0.1703 0.265
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.0172
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0125 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.112 0.112
Brugia malayi Protein kinase domain containing protein 0.0079 0.1727 0.2687
Brugia malayi ecdysteroid receptor 0.0012 0.0037 0.0057
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.1407 0.1407
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0664 0.1037
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0037 0.0057

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 9.2 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) 10 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) 12.5893 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) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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