Detailed information for compound 1313625

Basic information

Technical information
  • TDR Targets ID: 1313625
  • Name: N-(2,4-difluorophenyl)-2,6-dimethoxy-3-nitrob enzamide
  • MW: 338.263 | Formula: C15H12F2N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1C(=O)Nc1ccc(cc1F)F)OC)[N+](=O)[O-]
  • InChi: 1S/C15H12F2N2O5/c1-23-12-6-5-11(19(21)22)14(24-2)13(12)15(20)18-10-4-3-8(16)7-9(10)17/h3-7H,1-2H3,(H,18,20)
  • InChiKey: ZMTAYOQXHYALCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-difluorophenyl)-2,6-dimethoxy-3-nitro-benzamide
  • BTB 04843
  • MLS000833667
  • N1-(2,4-difluorophenyl)-2,6-dimethoxy-3-nitrobenzamide
  • SMR000457188
  • ZINC00167417
  • Oprea1_116701

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Brugia malayi hypothetical protein 0.035 0.4628 0.4628
Schistosoma mansoni zinc finger protein 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.035 0.4628 0.455
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0392 0.5203 0.5134
Echinococcus multilocularis Nuclear hormone receptor HR96 0.035 0.4628 0.455
Loa Loa (eye worm) nuclear hormone receptor 0.035 0.4628 0.4628
Echinococcus multilocularis muscleblind protein 1 0.018 0.2304 0.2193
Brugia malayi Nuclear hormone receptor-like 1 0.0392 0.5203 0.5203
Loa Loa (eye worm) hypothetical protein 0.018 0.2304 0.2304
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0142 0.5
Brugia malayi tailless protein 0.035 0.4628 0.4628
Brugia malayi nuclear hormone receptor 0.035 0.4628 0.4628
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0142 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0142 1
Schistosoma mansoni nuclear receptor 0.035 0.4628 0.455
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0392 0.5203 0.5134
Brugia malayi nuclear receptor RXR 0.035 0.4628 0.4628
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.035 0.4628 0.455
Brugia malayi hypothetical protein 0.0392 0.5203 0.5203
Echinococcus granulosus nuclear receptor 2DBD gamma 0.035 0.4628 0.455
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0142 1
Brugia malayi Nuclear hormone receptor E75 0.035 0.4628 0.4628
Echinococcus multilocularis muscleblind protein 0.018 0.2304 0.2193
Echinococcus multilocularis nuclear receptor nhr 48 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.018 0.2304 0.2304
Loa Loa (eye worm) hypothetical protein 0.0392 0.5203 0.5203
Loa Loa (eye worm) hypothetical protein 0.0392 0.5203 0.5203
Schistosoma mansoni nuclear receptor 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0142 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.035 0.4628 0.4628
Echinococcus granulosus thyroid hormone receptor alpha 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0142 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.035 0.4628 0.455
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0392 0.5203 0.5203
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0142 1
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Brugia malayi hypothetical protein 0.035 0.4628 0.4628
Loa Loa (eye worm) nuclear receptor NHR-67 0.035 0.4628 0.4628
Brugia malayi nuclear receptor NHR-67 0.035 0.4628 0.4628
Echinococcus granulosus muscleblind protein 0.018 0.2304 0.2193
Brugia malayi nuclear hormone receptor family member nhr-6 0.035 0.4628 0.4628
Brugia malayi Nuclear hormone receptor-like 1 0.0392 0.5203 0.5203
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Echinococcus granulosus Nuclear hormone receptor HR96 0.035 0.4628 0.455
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.035 0.4628 0.455
Brugia malayi hypothetical protein 0.0392 0.5203 0.5203
Brugia malayi nuclear hormone receptor family member odr-7 0.035 0.4628 0.4628
Brugia malayi conserved hypotetical protein 0.035 0.4628 0.4628
Brugia malayi nuclear receptor NHR-88 0.035 0.4628 0.4628
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.035 0.4628 0.455
Brugia malayi Nuclear hormone receptor E75 0.035 0.4628 0.4628
Echinococcus multilocularis Nuclear hormone receptor HR96 0.035 0.4628 0.455
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0142 1
Loa Loa (eye worm) hypothetical protein 0.0392 0.5203 0.5203
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0142 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0392 0.5203 0.5203
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.035 0.4628 0.455
Schistosoma mansoni nuclear receptor nhr-48 0.035 0.4628 0.455
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0142 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0142 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Brugia malayi Muscleblind-like protein 0.018 0.2304 0.2304
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Brugia malayi nuclear receptor RXR 0.0392 0.5203 0.5203
Echinococcus granulosus Nuclear hormone receptor HR96 0.035 0.4628 0.455
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Brugia malayi orphan nuclear receptor NR2E1 0.035 0.4628 0.4628
Brugia malayi ecdysone receptor 0.035 0.4628 0.4628
Toxoplasma gondii exonuclease III APE 0.0023 0.0142 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0142 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.035 0.4628 0.4628
Schistosoma mansoni nuclear hormone receptor 0.035 0.4628 0.455
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0142 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0392 0.5203 0.5134
Loa Loa (eye worm) hypothetical protein 0.0392 0.5203 0.5203
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0142 0.5
Loa Loa (eye worm) DR-78 0.035 0.4628 0.4628
Loa Loa (eye worm) hypothetical protein 0.035 0.4628 0.4628
Schistosoma mansoni nuclear hormone receptor 0.035 0.4628 0.455
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0392 0.5203 0.5134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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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