Detailed information for compound 1459109

Basic information

Technical information
  • TDR Targets ID: 1459109
  • Name: 1,3-Dimethyl-2-nitrobenzene
  • MW: 151.163 | Formula: C8H9NO2
  • H donors: 0 H acceptors: 2 LogP: 2.48 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1c(C)cccc1C
  • InChi: 1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
  • InChiKey: HDFQKJQEWGVKCQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-dimethyl-2-nitro-benzene
  • 81-20-9
  • 4-05-00-00948 (Beilstein Handbook Reference)
  • BRN 2046066
  • CCRIS 3119
  • EINECS 201-333-6
  • NSC 9811
  • InChI=1/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H
  • NCGC00091683-02
  • N28353_ALDRICH
  • 2,6-Dimethylnitrobenzene
  • 2-Nitro-m-xylene
  • Benzene, 1,3-dimethyl-2-nitro-
  • NSC9811
  • WLN: WNR B1 F1
  • m-Xylene, 2-nitro-
  • 40900_FLUKA
  • NCGC00091683-01
  • 45991_RIEDEL
  • 442243_SUPELCO
  • ZINC01700198
  • 2,6-DIMETHYL NITROBENZENE

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0144 0.1107
Brugia malayi steroid hormone receptor 0.003 0.0144 0.0998
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.003 0.0241
Brugia malayi hypothetical protein 0.0026 0.0111 0.0771
Toxoplasma gondii thioredoxin reductase 0.0038 0.0203 0.0654
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.4894
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Trichomonas vaginalis MYB3r3, putative 0.0019 0.0064 0.0248
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.003 0.0203
Trichomonas vaginalis MYB, putative 0.0019 0.0065 0.0252
Brugia malayi Pre-SET motif family protein 0.0212 0.1443 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0111 0.1849
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0144 0.1178
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0137 0.112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.003 0.0241
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.003 0.0163
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.003 0.0241
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0144 0.1178
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0207 0.1692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0245 0.2012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0245 0.1948
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0144 0.0993
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0207 0.1692
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.0555 0.0744
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0144 0.1107
Onchocerca volvulus 0.0161 0.1077 0.6456
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.003 0.0241
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0144 0.0993
Schistosoma mansoni cpg binding protein 0.0029 0.0137 0.1048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0245 0.2012
Echinococcus multilocularis geminin 0.018 0.1217 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0245 0.17
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0378 0.3051
Loa Loa (eye worm) glutathione reductase 0.0038 0.0203 0.1401
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0144 0.1178
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.015 0.1223
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0144 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0144 0.0998
Brugia malayi hypothetical protein 0.0161 0.1077 0.7463
Schistosoma mansoni hypothetical protein 0.018 0.1217 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0397 0.2768 0.335
Leishmania major trypanothione reductase 0.0038 0.0203 0.3778
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.0555 0.0744
Schistosoma mansoni cpg binding protein 0.0031 0.0149 0.1146
Brugia malayi hypothetical protein 0.0014 0.003 0.0208
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0144 0.1178
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0239 0.1959
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0144 0.0702
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0137 0.0943
Leishmania major hypothetical protein, conserved 0.0026 0.0111 0.1849
Trichomonas vaginalis pc-MYB2, putative 0.0019 0.0064 0.0248
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0065 0.0252
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0024 0.0163
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.403
Brugia malayi glutathione reductase 0.0038 0.0203 0.1406
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0144 0.1178
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0287
Brugia malayi Thioredoxin reductase 0.0038 0.0203 0.1406
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0042 0.0264
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0144 0.1178
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Schistosoma mansoni nuclear hormone receptor 0.003 0.0144 0.1107
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0287
Brugia malayi nuclear hormone receptor 0.003 0.0144 0.0998
Loa Loa (eye worm) hypothetical protein 0.0031 0.015 0.1031
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Onchocerca volvulus 0.0029 0.0137 0.0658
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0258 0.2117
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1012 0.7161 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0203 0.0251
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.0555 0.0744
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus granulosus cpg binding protein 0.0031 0.0149 0.1216
Trypanosoma brucei trypanothione reductase 0.0038 0.0203 0.3778
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0144 0.0993
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0144 0.0998
Schistosoma mansoni cpg binding protein 0.0031 0.0149 0.1146
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.403
Brugia malayi hypothetical protein 0.0017 0.0046 0.0322
Schistosoma mansoni hypothetical protein 0.018 0.1217 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0042 0.0341
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0144 0.0998
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1849
Schistosoma mansoni nuclear hormone receptor 0.0014 0.003 0.0163
Brugia malayi nuclear receptor NHR-88 0.003 0.0144 0.0998
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0245 0.1696
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Giardia lamblia Myb 1-like protein 0.0019 0.0065 1
Schistosoma mansoni nuclear receptor 0.0014 0.003 0.0163
Loa Loa (eye worm) DR-78 0.0014 0.003 0.0203
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0144 0.0702
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0144 0.1107
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.0624 0.0106
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0498 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0144 0.0998
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0239 0.1959
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0287
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0144 0.1178
Brugia malayi hypothetical protein 0.0043 0.0239 0.1656
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.015 0.0459
Brugia malayi conserved hypotetical protein 0.0014 0.003 0.0208
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0111 0.032
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.003 0.0241
Brugia malayi Nuclear hormone receptor E75 0.0014 0.003 0.0208
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0019 0.0065 0.015
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.003 0.0241
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.015 0.1154
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0498 0.4092
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0397 0.2768 0.2751
Echinococcus multilocularis cpg binding protein 0.0031 0.0149 0.1216
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.0555 0.0744
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.003 0.0241
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.003 0.0241
Trichomonas vaginalis C-MYB, putative 0.0019 0.0064 0.0248
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.003 0.0163
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0498 1
Plasmodium falciparum glutathione reductase 0.0038 0.0203 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1409 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0144 0.1178
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0144 0.0998
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0144 0.0998
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.003 0.0208
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0498 0.3449
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Schistosoma mansoni thyroid hormone receptor 0.003 0.0144 0.1107
Brugia malayi nuclear receptor RXR 0.0014 0.003 0.0208
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0498 0.3452
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.0624 0.0842
Trichomonas vaginalis C-MYB, putative 0.0019 0.0064 0.0248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0144 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0144 0.0998
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1409 1 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0397 0.2768 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0144 0.1178
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.403
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.015 0.1223
Brugia malayi CXXC zinc finger family protein 0.0029 0.0137 0.0948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0245 0.2012
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0144 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0144 0.0998
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0498 0.4045
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0108
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0144 0.0998
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.003 0.0241
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.003 0.0208
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.003 0.0203
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1409 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0287
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.0624 0.0842
Trichomonas vaginalis set domain proteins, putative 0.0241 0.1652 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0144 0.0993
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0144 0.1107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0144 0.0993
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.003 0.0208
Brugia malayi Pre-SET motif family protein 0.0031 0.015 0.1036
Trichomonas vaginalis MYB72, putative 0.0019 0.0064 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.015 0.1154
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.0624 0.0842
Plasmodium vivax SET domain protein, putative 0.0031 0.015 0.7027
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0042 0.0293
Brugia malayi nuclear receptor NHR-88 0.0014 0.003 0.0208
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0144 0.1107
Brugia malayi hypothetical protein 0.0014 0.003 0.0208
Brugia malayi hypothetical protein 0.0016 0.0042 0.0293
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0144 0.1107
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0144 0.1107
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0203 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0144 0.1178
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.4894
Brugia malayi hypothetical protein 0.0016 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Onchocerca volvulus 0.0241 0.1652 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1077 0.7462
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0258 0.2117
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0042 0.0293
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.001 0.0079
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1012 0.7161 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.003 0.0208
Schistosoma mansoni hypothetical protein 0.0043 0.0239 0.1895
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0498 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.003 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0144 0.0998
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0042 0.0287
Schistosoma mansoni coup transcription factor 0.003 0.0144 0.1107
Brugia malayi ecdysteroid receptor 0.003 0.0144 0.0998
Brugia malayi nuclear receptor RXR 0.0016 0.0042 0.0293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0245 0.2012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0042 0.0264
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0245 0.1948
Echinococcus granulosus FTZ F1 alpha 0.003 0.0144 0.1178
Echinococcus granulosus geminin 0.018 0.1217 1
Brugia malayi nuclear hormone receptor 0.0014 0.003 0.0208
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0498 0.4092
Schistosoma mansoni zinc finger protein 0.0014 0.003 0.0163
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.003 0.0163
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.403
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0144 0.1178
Brugia malayi ecdysone receptor 0.0014 0.003 0.0208
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0239 0.1895
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0144 0.0702
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.015 0.1154
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0042 0.0341
Plasmodium falciparum thioredoxin reductase 0.0038 0.0203 1
Plasmodium vivax glutathione reductase, putative 0.0038 0.0203 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0144 0.1178
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0331 0.1121
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.0555 0.0744
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0187
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0498 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0144 0.0998
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0144 0.1178
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0203 0.3778
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0187
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0144 0.0998
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0144 0.1178
Schistosoma mansoni thyroid hormone receptor 0.003 0.0144 0.1107
Brugia malayi nuclear receptor NHR-67 0.0014 0.003 0.0208
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0397 0.2768 0.2751
Schistosoma mansoni nuclear receptor 0.0014 0.003 0.0163
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0144 0.1178
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0144 0.0998
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0111 0.4894
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.003 0.0241
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0993
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0498 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0065 0.0252
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0144 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0144 0.0998
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0144 0.0993
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.015 0.1154
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0144 0.1107
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0203 0.1401
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0064 0.0248
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0287
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.003 0.0241
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.001 0.0079
Mycobacterium tuberculosis Probable reductase 0.0088 0.0555 0.0744
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1443 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.0203
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0144 0.1178
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.015 0.1223
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0144 0.0993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0144 0.1178
Onchocerca volvulus 0.0031 0.015 0.0737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0245 0.1948
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.003 0.0203
Trichomonas vaginalis pc-MYB2, putative 0.0019 0.0064 0.0248
Brugia malayi Nuclear hormone receptor E75 0.0014 0.003 0.0208
Onchocerca volvulus 0.003 0.0144 0.0702
Schistosoma mansoni nuclear hormone receptor 0.0014 0.003 0.0163
Brugia malayi tailless protein 0.0014 0.003 0.0208
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1849

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0398 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7229 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway measured by Nrf2-dependant transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 48.9722 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 48.9722 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) 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

No literature references available for this target.

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