Detailed information for compound 1297196

Basic information

Technical information
  • TDR Targets ID: 1297196
  • Name: ethyl 1-(4H-thieno[4,5-c]chromene-2-carbonyl) piperidine-4-carboxylate
  • MW: 371.45 | Formula: C20H21NO4S
  • H donors: 0 H acceptors: 2 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c(s1)c1ccccc1OC2
  • InChi: 1S/C20H21NO4S/c1-2-24-20(23)13-7-9-21(10-8-13)19(22)17-11-14-12-25-16-6-4-3-5-15(16)18(14)26-17/h3-6,11,13H,2,7-10,12H2,1H3
  • InChiKey: AHAXTSJEUDPYDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[oxo-(4H-thieno[4,5-c]chromen-2-yl)methyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-(4H-thieno[4,5-c]chromene-2-carbonyl)isonipecotic acid ethyl ester
  • ethyl 1-(4H-thieno[4,5-c]chromen-2-ylcarbonyl)piperidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family 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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi glutathione 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Thioredoxin 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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) 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
Loa Loa (eye worm) RNA 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
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Plasmodium vivax thioredoxin reductase, putative 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
Plasmodium knowlesi thioredoxin 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Plasmodium falciparum thioredoxin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major trypanothione reductase 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis 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
Trypanosoma brucei trypanothione 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
Babesia bovis thiodoxin 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
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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Neospora caninum Glutathione reductase, related 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
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 thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania major 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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 22.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Thioredoxin reductase 0.0057 0.1816 0.175
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4799 0.8837
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0294 0.0566
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.174 0.2542
Toxoplasma gondii FATC domain-containing protein 0.0024 0.047 0.1657
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1816 1
Entamoeba histolytica hypothetical protein 0.0043 0.1259 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.377
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4799 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.174 0.2516
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0294 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0631 0.2215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.174 0.2542
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0203 0.0293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.174 0.2542
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0294 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.6844 0.6779
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0203 0.0293
Toxoplasma gondii thioredoxin reductase 0.0057 0.1816 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.174 0.2516
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0332 0.0804
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2607 0.3809
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0294 0.0566
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0203 0.0124
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0631 0.2655
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.047 0.068
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0294 0.0566
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0294 0.3414
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.174 0.1569
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.5392 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.174 0.1673
Loa Loa (eye worm) RNA binding protein 0.0076 0.2607 0.2454
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0631 0.2655
Leishmania major hypothetical protein, conserved 0.0028 0.0631 0.2655
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0294 0.0566
Leishmania major trypanothione reductase 0.0057 0.1816 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0631 0.0437
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0294 0.0216
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4799 0.8837
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1816 0.1647
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0203 0.0124
Brugia malayi hypothetical protein 0.0043 0.1259 0.1189
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0631 0.2655
Brugia malayi hypothetical protein 0.0028 0.0631 0.0556
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.174 0.2542
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0631 0.2215
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0294 0.0429
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.047 0.0393
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1816 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0294 0.5
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.047 0.1657
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.377
Brugia malayi hypothetical protein 0.0018 0.0225 0.0147
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.047 0.0687
Brugia malayi glutathione reductase 0.0057 0.1816 0.175
Entamoeba histolytica hypothetical protein 0.0024 0.047 0.2531
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.047 0.1657
Entamoeba histolytica hypothetical protein 0.0043 0.1259 1
Echinococcus granulosus serine protein kinase ATM 0.0024 0.047 0.0687
Echinococcus granulosus tar DNA binding protein 0.0076 0.2607 0.3809
Echinococcus multilocularis muscleblind protein 0.018 0.6844 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.5392 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.377
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.377
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0294 0.0566
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0631 0.2215
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0294 0.0566
Entamoeba histolytica hypothetical protein 0.0043 0.1259 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0631 0.2655
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0203 0.0296
Brugia malayi Muscleblind-like protein 0.018 0.6844 0.6819
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2607 0.2454
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0294 0.0566
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0294 0.5
Loa Loa (eye worm) glutathione reductase 0.0057 0.1816 0.1647
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0294 0.3414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.174 0.2516
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2607 0.2548
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0294 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.5392 1
Plasmodium falciparum glutathione reductase 0.0057 0.1816 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1816 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Mycobacterium tuberculosis Probable reductase 0.013 0.4799 0.8837
Plasmodium vivax glutathione reductase, putative 0.0057 0.1816 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2607 0.2454
Brugia malayi TAR-binding protein 0.0076 0.2607 0.2548
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0204 0.0009
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4799 0.8837
Schistosoma mansoni hypothetical protein 0.0043 0.1259 0.1821
Brugia malayi RNA binding protein 0.0076 0.2607 0.2548
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0294 0.0566
Entamoeba histolytica hypothetical protein 0.0043 0.1259 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.047 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0332 0.0132
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0204 0.0009
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1816 0.2653
Plasmodium falciparum thioredoxin reductase 0.0057 0.1816 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1259 0.1821
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0294 0.0566
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.377
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0294 0.0566
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1816 0.2653
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0294 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1816 0.2985
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4799 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.5392 1
Treponema pallidum NADH oxidase 0.002 0.0294 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0294 0.0425
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1259 0.1839
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0294 0.0429
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0203 0.0296
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0294 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0203 0.0296
Echinococcus granulosus muscleblind protein 0.018 0.6844 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1259 0.1839
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0294 0.0566
Loa Loa (eye worm) hypothetical protein 0.018 0.6844 0.6779
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0294 0.0566
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0203 0.0296
Echinococcus multilocularis muscleblind protein 1 0.018 0.6844 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 80 uM PubChem BioAssay. Dose response counterscreen for EBI2 assay utilizing the enzyme, b-galactosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.0999 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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