Detailed information for compound 1283821

Basic information

Technical information
  • TDR Targets ID: 1283821
  • Name: 2-(3-nitrophenyl)-3H-1,4-benzodioxin-2-ol
  • MW: 273.241 | Formula: C14H11NO5
  • H donors: 1 H acceptors: 3 LogP: 2.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)C1(O)COc2c(O1)cccc2
  • InChi: 1S/C14H11NO5/c16-14(10-4-3-5-11(8-10)15(17)18)9-19-12-6-1-2-7-13(12)20-14/h1-8,16H,9H2
  • InChiKey: QLENPVPCJPGPLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ST5443815
  • Oprea1_320274

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2031 0.3451
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2031 0.3451
Loa Loa (eye worm) hypothetical protein 0.0066 0.1635 0.2779
Trichomonas vaginalis conserved hypothetical protein 0.012 0.3657 1
Brugia malayi TAR-binding protein 0.0076 0.2031 0.3451
Brugia malayi hypothetical protein 0.0043 0.0805 0.1368
Schistosoma mansoni hypothetical protein 0.0043 0.0805 0.2201
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2031 0.3451
Trypanosoma cruzi cell division cycle protein 45 (CDC45), putative 0.0037 0.0566 0.5
Entamoeba histolytica cell division control protein 45 CDC45, putative 0.012 0.3657 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2031 0.5552
Echinococcus granulosus tar DNA binding protein 0.0076 0.2031 0.3451
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0805 0.1368
Onchocerca volvulus 0.0066 0.1635 1
Brugia malayi Rhodanese-like domain containing protein 0.0066 0.1635 0.2779
Entamoeba histolytica rodhanase-like domain containing protein 0.0066 0.1635 0.291
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0066 0.1635 0.2779
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2031 0.3451
Onchocerca volvulus 0.0066 0.1635 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0066 0.1635 0.291
Echinococcus granulosus cell division control protein 45 0.012 0.3657 0.6216
Loa Loa (eye worm) hypothetical protein 0.0061 0.1444 0.2455
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0066 0.1635 0.2779
Loa Loa (eye worm) hypothetical protein 0.018 0.5884 1
Loa Loa (eye worm) hypothetical protein 0.018 0.5884 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.2031 0.3451
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0805 0.2201
Leishmania major cell division cycle 45 (CDC45), putative 0.0037 0.0566 0.5
Echinococcus multilocularis muscleblind protein 0.018 0.5884 1
Brugia malayi Muscleblind-like protein 0.018 0.5884 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2031 0.5552
Schistosoma mansoni cell division control protein 45-related 0.012 0.3657 1
Brugia malayi Rhodanese-like domain containing protein 0.0066 0.1635 0.2779
Brugia malayi hypothetical protein 0.012 0.3657 0.6216
Trypanosoma cruzi cell division cycle protein 45 (CDC45), putative 0.0037 0.0566 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0805 0.1368
Onchocerca volvulus 0.0066 0.1635 1
Mycobacterium ulcerans short chain dehydrogenase 0.0291 1 0.5
Brugia malayi RNA binding protein 0.0076 0.2031 0.3451
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0066 0.1635 0.447
Echinococcus granulosus muscleblind protein 0.018 0.5884 1
Trypanosoma brucei Cell division cycle 45 0.0037 0.0566 0.5
Echinococcus multilocularis cell division control protein 45 0.012 0.3657 0.6216
Loa Loa (eye worm) hypothetical protein 0.012 0.3657 0.6216
Echinococcus multilocularis muscleblind protein 1 0.018 0.5884 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2031 0.5552
Loa Loa (eye worm) hypothetical protein 0.0061 0.1444 0.2455
Giardia lamblia Hypothetical protein 0.0037 0.0566 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.1635 0.2779
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2031 0.5552
Onchocerca volvulus 0.0066 0.1635 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0066 0.1635 0.291
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2031 0.5552

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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