Detailed information for compound 307442

Basic information

Technical information
  • TDR Targets ID: 307442
  • Name: 8-nitro-4-oxo-1H-quinoline-3-carboxylic acid
  • MW: 234.165 | Formula: C10H6N2O5
  • H donors: 2 H acceptors: 6 LogP: 1.74 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc2c1ncc(c2O)C(=O)O
  • InChi: 1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
  • InChiKey: BMIZBCVEHSUUNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-keto-8-nitro-1H-quinoline-3-carboxylic acid
  • 3-carboxy-N-hydroxy-4-oxo-1H-quinolin-8-amine oxide
  • 3-carboxy-N-hydroxy-4-keto-1H-quinolin-8-amine oxide
  • 35973-25-2
  • AIDS-159865
  • AIDS159865
  • NSC628113
  • NSC 15765
  • NSC15765
  • 8-Nitro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  • AIDS-092395
  • AIDS092395
  • 4-Hydroxy-8-(hydroxy(oxido)amino)-3-quinolinecarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens caspase 6, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Dengue virus type 2 Genome polyprotein References
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cell death protein 3 precursor caspase 6, apoptosis-related cysteine peptidase 293 aa 270 aa 34.4 %
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.118 0.118
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0714 1 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0391 0.5248 0.8401
Toxoplasma gondii glutamine synthetase, type I, putative 0.0459 0.6247 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0391 0.5248 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0185 0.2201 0.2201
Loa Loa (eye worm) nuclear hormone receptor 0.0185 0.2201 0.3524
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0203 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0391 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Brugia malayi photoreceptor-specific nuclear receptor 0.0391 0.5248 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0391 0.5248 0.5248
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0391 0.5248 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0391 0.5248 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0185 0.2201 0.2201
Onchocerca volvulus 0.0391 0.5248 0.8401
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0207 0.2528 0.2528
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0109 0.0109
Schistosoma mansoni thyroid hormone receptor 0.0391 0.5248 0.5248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0391 0.5248 0.8401
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0391 0.5248 0.8401
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0391 0.5248 0.5248
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0391 0.5248 0.5248
Brugia malayi nuclear receptor NHR-88 0.0185 0.2201 0.4195
Brugia malayi jmjC domain containing protein 0.0115 0.118 0.2249
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0459 0.6247 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0207 0.2528 0.2528
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0109 0.0109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0391 0.5248 0.8401
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0391 0.5248 0.5248
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0391 0.5248 0.5248
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0207 0.2528 0.4047
Loa Loa (eye worm) hypothetical protein 0.006 0.0371 0.0593
Echinococcus multilocularis FTZ F1 alpha 0.0391 0.5248 0.5248
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0459 0.6247 1
Loa Loa (eye worm) glutaminase 2 0.033 0.4346 0.6957
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0391 0.5248 0.5248
Brugia malayi nuclear receptor NHR-88 0.0391 0.5248 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0391 0.5248 0.8401
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0185 0.2201 0.3524
Echinococcus granulosus dna polymerase eta 0.0054 0.0278 0.0278
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0185 0.2201 0.2201
Schistosoma mansoni glutamine synthetase bacteria 0.018 0.2136 0.2136
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0185 0.2201 0.2201
Schistosoma mansoni RAR-like nuclear receptor 0.0391 0.5248 0.5248
Schistosoma mansoni nuclear hormone receptor 0.0391 0.5248 0.5248
Brugia malayi Steroid receptor seven-up type 2 0.0391 0.5248 1
Brugia malayi nuclear receptor RXR 0.0185 0.2201 0.4195
Plasmodium vivax glutamine synthetase, putative 0.0459 0.6247 1
Brugia malayi Nuclear hormone receptor-like 1 0.0207 0.2528 0.4817
Schistosoma mansoni coup transcription factor 0.0391 0.5248 0.5248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0391 0.5248 0.8401
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0391 0.5248 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0391 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Loa Loa (eye worm) nuclear receptor NHR-67 0.0185 0.2201 0.3524
Schistosoma mansoni nuclear receptor 0.0185 0.2201 0.2201
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0391 0.5248 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0391 0.5248 0.5248
Onchocerca volvulus Bile acid receptor homolog 0.0391 0.5248 0.8401
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0185 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.0207 0.2528 0.4047
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.018 0.2136 0.5
Onchocerca volvulus 0.0185 0.2201 0.3524
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Schistosoma mansoni glutaminase 0.033 0.4346 0.4346
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0391 0.5248 0.5248
Schistosoma mansoni nuclear receptor 0.0185 0.2201 0.2201
Brugia malayi conserved hypotetical protein 0.0185 0.2201 0.4195
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0391 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.2528 0.4047
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0391 0.5248 0.5248
Echinococcus multilocularis ecdysone induced protein 78C 0.0391 0.5248 0.5248
Brugia malayi orphan nuclear receptor NR2E1 0.0185 0.2201 0.4195
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0391 0.5248 0.8401
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Trichomonas vaginalis glutaminase, putative 0.033 0.4346 1
Trypanosoma brucei glutamine synthetase, putative 0.0714 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0207 0.2528 0.2528
Onchocerca volvulus Glutamine synthetase homolog 0.0459 0.6247 1
Echinococcus granulosus FTZ F1 alpha 0.0391 0.5248 0.5248
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0391 0.5248 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0203 0.0203
Leishmania major glutamine synthetase, putative 0.0714 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0391 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Brugia malayi ecdysone receptor 0.0185 0.2201 0.4195
Loa Loa (eye worm) hypothetical protein 0.0207 0.2528 0.4047
Plasmodium falciparum glutamine synthetase, putative 0.0459 0.6247 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0185 0.2201 0.2201
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0391 0.5248 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0185 0.2201 0.2201
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0391 0.5248 0.5248
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0185 0.2201 0.2201
Echinococcus granulosus nuclear receptor nhr 48 0.0185 0.2201 0.2201
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.118 0.118
Echinococcus multilocularis glutamine synthetase 0.0714 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0041 0.0066
Brugia malayi Nuclear hormone receptor E75 0.0185 0.2201 0.4195
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Mycobacterium ulcerans glutamine synthetase 0.0459 0.6247 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0185 0.2201 0.2201
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0207 0.2528 0.4047
Loa Loa (eye worm) DR-78 0.0185 0.2201 0.3524
Brugia malayi nuclear hormone receptor 0.0185 0.2201 0.4195
Loa Loa (eye worm) Gln-2 protein 0.0459 0.6247 1
Schistosoma mansoni glutamine synthetase bacteria 0.018 0.2136 0.2136
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0831 0.0831
Trypanosoma cruzi glutamine synthetase, putative 0.0714 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0391 0.5248 0.5248
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0185 0.2201 0.3524
Leishmania major DNA polymerase eta, putative 0.0054 0.0278 0.0238
Schistosoma mansoni nuclear hormone receptor 0.0185 0.2201 0.2201
Schistosoma mansoni nuclear receptor nhr-48 0.0185 0.2201 0.2201
Brugia malayi jmjC domain containing protein 0.0043 0.0109 0.0208
Echinococcus multilocularis dna polymerase eta 0.0054 0.0278 0.0278
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0459 0.6247 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0391 0.5248 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0278 0.053
Brugia malayi nuclear receptor RXR 0.0207 0.2528 0.4817
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Brugia malayi nuclear receptor NHR-67 0.0185 0.2201 0.4195
Onchocerca volvulus 0.0185 0.2201 0.3524
Schistosoma mansoni nuclear hormone receptor 0.0185 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Brugia malayi hypothetical protein 0.0207 0.2528 0.4817
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0391 0.5248 0.5248
Brugia malayi ecdysteroid receptor 0.0391 0.5248 1
Entamoeba histolytica glutamine synthetase, putative 0.018 0.2136 0.5
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0391 0.5248 0.5248
Brugia malayi glutamine synthetase 0.0255 0.3235 0.6164
Brugia malayi tailless protein 0.0185 0.2201 0.4195
Echinococcus granulosus Nuclear hormone receptor HR96 0.0185 0.2201 0.2201
Onchocerca volvulus Protein ultraspiracle homolog 0.0391 0.5248 0.8401
Loa Loa (eye worm) hypothetical protein 0.0207 0.2528 0.4047
Entamoeba histolytica glutamine synthetase, putative 0.018 0.2136 0.5
Loa Loa (eye worm) glutaminase 0.033 0.4346 0.6957
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0109 0.0175
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Loa Loa (eye worm) hypothetical protein 0.0054 0.0278 0.0445
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0391 0.5248 0.5248
Trypanosoma cruzi glutamine synthetase, putative 0.0714 1 1
Mycobacterium ulcerans glutaminase 0.033 0.4346 0.5376
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0185 0.2201 0.2201
Schistosoma mansoni retinoic acid receptor RXR 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0207 0.2528 0.2528
Schistosoma mansoni zinc finger protein 0.0185 0.2201 0.2201
Brugia malayi nuclear hormone receptor 0.0391 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Schistosoma mansoni steroid hormone receptor ad4bp 0.0391 0.5248 0.5248
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0391 0.5248 0.5248
Schistosoma mansoni DNA polymerase eta 0.0054 0.0278 0.0278
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0278 0.0238
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Brugia malayi hypothetical protein 0.0185 0.2201 0.4195
Brugia malayi nuclear hormone receptor family member odr-7 0.0185 0.2201 0.4195
Brugia malayi hypothetical protein 0.0207 0.2528 0.4817
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Brugia malayi hypothetical protein 0.0185 0.2201 0.4195
Brugia malayi nuclear hormone receptor family member nhr-6 0.0185 0.2201 0.4195
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0185 0.2201 0.2201
Brugia malayi Nuclear hormone receptor-like 1 0.0391 0.5248 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0109 0.0109
Schistosoma mansoni thyroid hormone receptor 0.0391 0.5248 0.5248
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0391 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0185 0.2201 0.3524
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0185 0.2201 0.2201
Brugia malayi Nuclear hormone receptor-like 1 0.0207 0.2528 0.4817
Brugia malayi glutaminase DH11.1 0.033 0.4346 0.8281
Brugia malayi steroid hormone receptor 0.0391 0.5248 1
Loa Loa (eye worm) steroid hormone receptor 0.0391 0.5248 0.8401
Brugia malayi Nuclear hormone receptor E75 0.0185 0.2201 0.4195
Loa Loa (eye worm) hypothetical protein 0.0391 0.5248 0.8401
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0552 0.0884
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0391 0.5248 1
Echinococcus granulosus ecdysone induced protein 78C 0.0391 0.5248 0.5248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0391 0.5248 0.8401
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0185 0.2201 0.3524
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0185 0.2201 0.4195

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 5.77 uM PubChem BioAssay. VEID(2) R110 Enzymatic Primary HTS to identify Inhibitors of Caspase 6 Measured in Biochemical System Using Plate Reader - 7052-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
CC50 (ADMET) > 100 uM Cytotoxicity against human A549 cells after 48 hrs ChEMBL. 20108931
IC50 (functional) = 5.655 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (binding) = 14.3 uM Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site ChEMBL. 20108931
IC50 (binding) = 43.4 uM Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100 ChEMBL. 20108931
IC50 (functional) > 93.957 uM PubChem BioAssay. Counterscreen for inhibitors of T-cell receptor (TCR)-CD3 interaction: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled BSA probe. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (binding) = 46.9 % Percentage inhibition of compound against 3'-processing of HIV-1 integrase at 100 microg/mL ChEMBL. 9083483
Inhibition (binding) = 46.9 % Percentage inhibition of compound against 3'-processing of HIV-1 integrase at 100 microg/mL ChEMBL. 9083483
Inhibition (binding) = 54.9 % Percentage inhibition against strand transfer of HIV-1 integrase at 100 microg/mL ChEMBL. 9083483
Inhibition (binding) = 54.9 % Percentage inhibition against strand transfer of HIV-1 integrase at 100 microg/mL ChEMBL. 9083483
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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