Detailed information for compound 1541382

Basic information

Technical information
  • TDR Targets ID: 1541382
  • Name: 2-(3-cyano-6-methyl-2-oxopyridin-1-yl)-N-[2-( trifluoromethyl)phenyl]acetamide
  • MW: 335.281 | Formula: C16H12F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(n(c1=O)CC(=O)Nc1ccccc1C(F)(F)F)C
  • InChi: 1S/C16H12F3N3O2/c1-10-6-7-11(8-20)15(24)22(10)9-14(23)21-13-5-3-2-4-12(13)16(17,18)19/h2-7H,9H2,1H3,(H,21,23)
  • InChiKey: SDLHWLRWXFJZHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-cyano-6-methyl-2-oxo-1-pyridyl)-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-(3-cyano-2-keto-6-methyl-1-pyridyl)-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-(3-cyano-6-methyl-2-oxo-pyridin-1-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide
  • C202-3267
  • NCGC00105479-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0071 0.0204 0.0579
Schistosoma mansoni Smad4 0.0057 0.0127 0.0226
Loa Loa (eye worm) transcription factor SMAD2 0.1862 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0084 0.0279 0.0793
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0493 0.2512 0.7147
Brugia malayi Probable isocitrate dehydrogenase 0.0042 0.0048 0.0048
Schistosoma mansoni tar DNA-binding protein 0.052 0.2662 0.4721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0063 0.0163 0.0163
Echinococcus granulosus Glycosyl transferase family 8 0.0073 0.0216 0.0615
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0347 0.1717 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0334 0.0334
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0042 0.0048 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0063 0.0163 0.0163
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0054 0.0113 0.0322
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0063 0.0163 0.0289
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0063 0.0163 1
Loa Loa (eye worm) nuclear hormone receptor 0.0502 0.2565 0.2565
Brugia malayi Latrophilin receptor protein 2 0.0493 0.2512 0.2512
Echinococcus granulosus ecdysone induced protein 78C 0.0063 0.0163 0.0464
Echinococcus multilocularis Glycosyl transferase, family 8 0.0073 0.0216 0.0615
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0042 0.0048 0.0137
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0063 0.0163 0.0464
Schistosoma mansoni tar DNA-binding protein 0.052 0.2662 0.4721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0063 0.0163 0.0163
Loa Loa (eye worm) steroid hormone receptor 0.0063 0.0163 0.0163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0063 0.0163 0.0163
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0347 0.1717 0.4887
Plasmodium vivax ataxin-2 like protein, putative 0.0188 0.0846 0.3702
Brugia malayi MH2 domain containing protein 0.0057 0.0127 0.0127
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0347 0.1717 0.4887
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0084 0.0279 0.0494
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0063 0.0163 0.0464
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0163 0.0464
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0084 0.0279 0.0793
Schistosoma mansoni hypothetical protein 0.0493 0.2512 0.4455
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0063 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0256 0.122 0.122
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0042 0.0048 0.0137
Echinococcus granulosus smad 0.0127 0.0511 0.1454
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.052 0.2662 0.2662
Brugia malayi ecdysteroid receptor 0.0063 0.0163 0.0163
Schistosoma mansoni smad1 5 8 and 0.0127 0.0511 0.0906
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0063 0.0163 0.0163
Brugia malayi MH2 domain containing protein 0.0127 0.0511 0.0511
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0334 0.095
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0347 0.1717 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0276 0.1324 0.3769
Onchocerca volvulus 0.0063 0.0163 1
Loa Loa (eye worm) hypothetical protein 0.1557 0.8333 0.8333
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0163 0.0163
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.0163 0.0289
Loa Loa (eye worm) hypothetical protein 0.0299 0.1453 0.1453
Brugia malayi nuclear receptor NHR-88 0.0063 0.0163 0.0163
Brugia malayi steroid hormone receptor 0.0063 0.0163 0.0163
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0493 0.2512 0.2512
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0063 0.0163 0.0163
Brugia malayi Steroid receptor seven-up type 2 0.0536 0.2748 0.2748
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0063 0.0163 0.0163
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0063 0.0163 0.0289
Schistosoma mansoni nuclear hormone receptor 0.0063 0.0163 0.0289
Schistosoma mansoni coup transcription factor 0.0063 0.0163 0.0289
Loa Loa (eye worm) MH1 domain-containing protein 0.0127 0.0511 0.0511
Echinococcus multilocularis isocitrate dehydrogenase 0.0347 0.1717 0.4887
Schistosoma mansoni smad 0.0127 0.0511 0.0906
Brugia malayi MH1 domain containing protein 0.007 0.0201 0.0201
Brugia malayi Isocitrate dehydrogenase 0.0347 0.1717 0.1717
Loa Loa (eye worm) nuclear factor I 0.007 0.0201 0.0201
Brugia malayi MH1 domain containing protein 0.007 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Brugia malayi Glycosyl transferase family 8 protein 0.0073 0.0216 0.0216
Brugia malayi TAR-binding protein 0.052 0.2662 0.2662
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0042 0.0048 0.0137
Schistosoma mansoni smad 0.0057 0.0127 0.0226
Echinococcus granulosus tar DNA binding protein 0.052 0.2662 0.7575
Loa Loa (eye worm) hypothetical protein 0.0493 0.2512 0.2512
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1557 0.8333 0.8333
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0156 0.0646
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0163 0.0289
Echinococcus granulosus GPCR family 2 0.0493 0.2512 0.7147
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0204 0.0579
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0493 0.2512 0.7147
Echinococcus granulosus tyrosine protein kinase ABL1 0.0676 0.3514 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0042 0.0048 0.5
Loa Loa (eye worm) Smad1 0.0127 0.0511 0.0511
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0063 0.0163 0.0464
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0163 0.0464
Schistosoma mansoni retinoic acid receptor RXR 0.0063 0.0163 0.0289
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0493 0.2512 0.4455
Schistosoma mansoni Smad4 0.0127 0.0511 0.0906
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0127 0.0511 0.1454
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0536 0.2748 0.782
Echinococcus multilocularis ecdysone induced protein 78C 0.0063 0.0163 0.0464
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0054 0.0113 0.0322
Toxoplasma gondii isocitrate dehydrogenase 0.0347 0.1717 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0156 0.0646
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0347 0.1717 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0127 0.0511 0.1454
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1557 0.8333 0.8333
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0042 0.0048 0.0048
Plasmodium falciparum ataxin-2 like protein, putative 0.0188 0.0846 0.3702
Schistosoma mansoni RAR-like nuclear receptor 0.0063 0.0163 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0063 0.0163 0.0163
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0156 0.3772
Schistosoma mansoni tar DNA-binding protein 0.052 0.2662 0.4721
Echinococcus multilocularis tar DNA binding protein 0.052 0.2662 0.7575
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0042 0.0048 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0163 0.0163
Loa Loa (eye worm) TAR-binding protein 0.052 0.2662 0.2662
Loa Loa (eye worm) TK/ABL protein kinase 0.0676 0.3514 0.3514
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0063 0.0163 0.0289
Echinococcus granulosus FTZ F1 alpha 0.0063 0.0163 0.0464
Toxoplasma gondii LsmAD domain-containing protein 0.0188 0.0846 0.3702
Echinococcus granulosus mothers against decapentaplegic 5 0.0127 0.0511 0.1454
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0334 0.095
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0347 0.1717 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0063 0.0163 0.0163
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0156 0.0443
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0347 0.1717 0.3046
Brugia malayi hypothetical protein 0.0188 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.007 0.0201 0.0201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0493 0.2512 0.7147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0063 0.0163 0.0163
Echinococcus multilocularis GPCR, family 2 0.0493 0.2512 0.7147
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0042 0.0048 0.0137
Echinococcus multilocularis Smad4 0.0127 0.0511 0.1454
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0334 0.0592
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0163 0.0289
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0127 0.0511 0.0906
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0163 0.0163
Loa Loa (eye worm) isocitrate dehydrogenase 0.0347 0.1717 0.1717
Echinococcus granulosus mothers against decapentaplegic 6 0.0057 0.0127 0.0362
Brugia malayi Probable ClpP-like protease 0.0094 0.0334 0.0334
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0204 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0063 0.0163 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.0188 0.0846 0.3702
Brugia malayi hypothetical protein 0.0121 0.0481 0.0481
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0042 0.0048 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0063 0.0163 0.0464
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0063 0.0163 0.0464
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0063 0.0163 0.0464
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0163 0.0464
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0063 0.0163 0.0289
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0204 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0063 0.0163 0.0163
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0506 0.2585 0.2585
Brugia malayi MH1 domain containing protein 0.0127 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.1064 0.5638 0.5638
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0347 0.1717 0.4887
Schistosoma mansoni Smad4 0.0057 0.0127 0.0226
Brugia malayi Smad1 0.0127 0.0511 0.0511
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0676 0.3514 1
Echinococcus multilocularis conserved hypothetical protein 0.0054 0.0113 0.0322
Schistosoma mansoni hypothetical protein 0.0493 0.2512 0.4455
Brugia malayi Calcitonin receptor-like protein seb-1 0.1557 0.8333 0.8333
Brugia malayi Probable isocitrate dehydrogenase 0.0042 0.0048 0.0048
Brugia malayi photoreceptor-specific nuclear receptor 0.0299 0.1453 0.1453
Schistosoma mansoni hypothetical protein 0.0493 0.2512 0.4455
Schistosoma mansoni smad1 5 8 and 0.0127 0.0511 0.0906
Schistosoma mansoni smad1 5 8 and 0.0127 0.0511 0.0906
Loa Loa (eye worm) hypothetical protein 0.0188 0.0846 0.0846
Loa Loa (eye worm) latrophilin receptor protein 2 0.0493 0.2512 0.2512
Schistosoma mansoni isocitrate dehydrogenase 0.0042 0.0048 0.0085
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0347 0.1717 0.4887
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0127 0.0511 0.1454
Brugia malayi Tyrosine-protein kinase abl-1 0.0276 0.1324 0.1324
Echinococcus multilocularis mothers against decapentaplegic 2 0.0057 0.0127 0.0362
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0493 0.2512 0.7147
Brugia malayi isocitrate dehydrogenase 0.0347 0.1717 0.1717
Leishmania major hypothetical protein, conserved 0.0188 0.0846 0.478
Brugia malayi latrophilin 2 splice variant baaae 0.1064 0.5638 0.5638
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0163 0.0464
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0334 0.5
Schistosoma mansoni tar DNA-binding protein 0.052 0.2662 0.4721
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.0511 0.0511
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0073 0.0216 0.0216
Schistosoma mansoni steroid hormone receptor ad4bp 0.0063 0.0163 0.0289
Schistosoma mansoni tyrosine kinase 0.0666 0.3461 0.6139
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0156 0.0443
Onchocerca volvulus Protein ultraspiracle homolog 0.0063 0.0163 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0063 0.0163 0.0163
Schistosoma mansoni unc-13 (munc13) 0.0042 0.0048 0.0085
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.0048
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0347 0.1717 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0057 0.0127 0.0127
Echinococcus multilocularis mothers against decapentaplegic 6 0.0057 0.0127 0.0362
Brugia malayi Tyrosine-protein kinase abl-1 0.041 0.2059 0.2059
Schistosoma mansoni glycosyltransferase-related 0.0073 0.0216 0.0383
Brugia malayi nuclear hormone receptor 0.0063 0.0163 0.0163
Schistosoma mansoni tar DNA-binding protein 0.052 0.2662 0.4721
Brugia malayi RNA binding protein 0.052 0.2662 0.2662
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0042 0.0048 0.0048
Echinococcus granulosus mothers against decapentaplegic 2 0.0057 0.0127 0.0362
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0163 0.0163
Brugia malayi RNA recognition motif domain containing protein 0.052 0.2662 0.2662
Echinococcus granulosus Smad4 0.0127 0.0511 0.1454
Echinococcus multilocularis smad 0.0127 0.0511 0.1454
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Echinococcus multilocularis thyroid hormone receptor alpha 0.0063 0.0163 0.0464
Loa Loa (eye worm) hypothetical protein 0.0057 0.0127 0.0127
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0347 0.1717 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0347 0.1717 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0163 0.0163
Onchocerca volvulus Bile acid receptor homolog 0.0063 0.0163 1
Brugia malayi MH1 domain containing protein 0.0127 0.0511 0.0511
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0536 0.2748 0.782
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0063 0.0163 0.0464
Loa Loa (eye worm) MH2 domain-containing protein 0.0057 0.0127 0.0127
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0347 0.1717 1
Loa Loa (eye worm) MH2 domain-containing protein 0.1862 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0042 0.0048 0.0048
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0063 0.0163 0.0289
Brugia malayi MH2 domain containing protein 0.0127 0.0511 0.0511
Brugia malayi mothers against decapentaplegic homolog 3 0.0057 0.0127 0.0127
Toxoplasma gondii isocitrate dehydrogenase 0.0347 0.1717 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0063 0.0163 0.0464
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0347 0.1717 0.4887
Loa Loa (eye worm) RNA binding protein 0.052 0.2662 0.2662
Schistosoma mansoni hypothetical protein 0.1064 0.5638 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.5481 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) 8.9125 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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