Detailed information for compound 1415129

Basic information

Technical information
  • TDR Targets ID: 1415129
  • Name: N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4 -thiadiazol-5-yl]benzamide
  • MW: 393.34 | Formula: C17H10F3N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)Nc1sn(c(=O)n1)C(=O)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C17H10F3N3O3S/c18-17(19,20)12-8-4-7-11(9-12)14(25)23-16(26)22-15(27-23)21-13(24)10-5-2-1-3-6-10/h1-9H,(H,21,22,24,26)
  • InChiKey: HUGUYZYMDZQKPG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-oxo-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]benzamide
  • N-[3-keto-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide
  • N-[3-oxo-2-[3-(trifluoromethyl)phenyl]carbonyl-1,2,4-thiadiazol-5-yl]benzamide
  • SMR000125737
  • Bionet1_002799
  • 3M-529S
  • MLS000540479
  • N-{3-oxo-2-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1,2,4-thiadiazol-5-yl}benzenecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
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:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi glutathione reductase, putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi glutathione reductase 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin reductase, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis trypanothione 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
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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 granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, 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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
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 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0069 0.0177
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0005 0.0005
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0069 0.0529
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0524 0.0524
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.0102 0.08
Loa Loa (eye worm) carboxylesterase 0.0022 0.0102 0.0267
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0015 0.0005 0.0005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0102 0.0102
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0087 0.0087
Schistosoma mansoni kinase 0.0058 0.0535 0.0535
Schistosoma mansoni acetylcholinesterase 0.0022 0.0102 0.0102
Onchocerca volvulus 0.0022 0.0102 0.0834
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0502 0.1364
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0102 0.0102
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0152 0.1682 0.1682
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0805 0.0805
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0102 0.0215
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.0313 0.3649 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.122 1
Treponema pallidum NADH oxidase 0.002 0.0069 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0664 0.5427
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1451 0.1451
Loa Loa (eye worm) carboxylesterase 0.0022 0.0102 0.0267
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0005 0.0005
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0102 0.0102
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.122 1
Mycobacterium tuberculosis Probable reductase 0.013 0.1417 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1417 0.8837
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0102 0.0102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0502 0.0502
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0502 0.0502
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.122 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0069 0.0069
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.1451 0.1451
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0502 0.0502
Echinococcus granulosus acetylcholinesterase 0.0133 0.1451 0.1451
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0073 0.0723 0.1971
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0087 0.0087
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0664 0.5427
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0073 0.0723 0.1971
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0087 0.0087
Schistosoma mansoni gliotactin 0.0022 0.0102 0.0102
Brugia malayi Carboxylesterase family protein 0.0133 0.1451 0.3969
Mycobacterium ulcerans carboxylesterase, LipT 0.0022 0.0102 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0524 0.1426
Onchocerca volvulus 0.0022 0.0102 0.0834
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.1451 0.1451
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1595 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0102 0.0102
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0005 0.0005
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1595 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0102 0.0102
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.122 0.122
Brugia malayi glutathione reductase 0.0057 0.0524 0.1426
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0015 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0064 0.0605 0.1646
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0069 0.5
Brugia malayi Carboxylesterase family protein 0.0022 0.0102 0.0267
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0524 0.2985
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0102 0.0102
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0015 0.0005 0.0005
Brugia malayi Carboxylesterase family protein 0.0022 0.0102 0.0267
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0087 0.0087
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0087 0.0087
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1595 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.122 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0087 0.0226
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.1451 0.3969
Echinococcus granulosus carboxylesterase 5A 0.0133 0.1451 0.1451
Leishmania major trypanothione reductase 0.0057 0.0524 0.3958
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0005 0.0005
Brugia malayi Carboxylesterase family protein 0.0022 0.0102 0.0267
Loa Loa (eye worm) hypothetical protein 0.0133 0.1451 0.3969
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0805 0.0805
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.122 0.3334
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0087 0.0087
Toxoplasma gondii thioredoxin reductase 0.0057 0.0524 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0502 0.0502
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1451 0.1451
Trypanosoma brucei trypanothione reductase 0.0057 0.0524 0.3958
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1417 0.8837
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Onchocerca volvulus 0.0022 0.0102 0.0834
Onchocerca volvulus 0.0022 0.0102 0.0834
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0524 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0069 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0102 0.0102
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0005 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0073 0.0723 0.0723
Echinococcus multilocularis high voltage activated calcium channel beta 0.0152 0.1682 0.1682
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0524 0.3958
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0102 0.0102
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0015 0.0005 0.0005
Echinococcus granulosus high voltage activated calcium channel beta 0.0152 0.1682 0.1682
Brugia malayi Thioredoxin reductase 0.0057 0.0524 0.1426
Echinococcus granulosus acetylcholinesterase 0.0133 0.1451 0.1451
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0015 0.0005 0.0005
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0005 0.0005
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.122 0.3334
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0502 0.0502
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.122 0.122
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.122 1
Brugia malayi hypothetical protein 0.0022 0.0102 0.0267
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0102 0.0102
Echinococcus granulosus neuroligin 0.0022 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1417 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0517 0.4214
Brugia malayi Carboxylesterase family protein 0.0133 0.1451 0.3969
Plasmodium vivax glutathione reductase, putative 0.0057 0.0524 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0022 0.0102 0.0215
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0524 0.1426
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0517 0.4214
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0524 0.0524
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0005 0.0005
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0102 0.0215
Giardia lamblia Kinase, PLK 0.0114 0.122 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0069 0.0069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0502 0.1364
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0069 0.0529
Echinococcus multilocularis neuroligin 0.0022 0.0102 0.0102
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1417 0.8837
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0005 0.0005
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.122 0.122
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Brugia malayi Carboxylesterase family protein 0.0022 0.0102 0.0267
Onchocerca volvulus 0.0022 0.0102 0.0834
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.122 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.0102 0.08
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0005 0.0005
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0005 0.0005
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0073 0.0723 0.0723
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0313 0.3649 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1595 1
Loa Loa (eye worm) carboxylesterase 0.0133 0.1451 0.3969
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0005 0.0005
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0005 0.0005
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.122 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0069 0.0069
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0005 0.0001
Loa Loa (eye worm) hypothetical protein 0.0022 0.0102 0.0267
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0087 0.0226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0502 0.0502
Plasmodium falciparum thioredoxin reductase 0.0057 0.0524 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0502 0.0502
Plasmodium falciparum glutathione reductase 0.0057 0.0524 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1417 0.8837
Loa Loa (eye worm) hypothetical protein 0.0133 0.1451 0.3969

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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 (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 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) 18.526 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) 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 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) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 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) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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