Detailed information for compound 1518003

Basic information

Technical information
  • TDR Targets ID: 1518003
  • Name: N-(3-quinoxalin-2-yloxyphenyl)acetamide
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)Oc1cnc2c(n1)cccc2
  • InChi: 1S/C16H13N3O2/c1-11(20)18-12-5-4-6-13(9-12)21-16-10-17-14-7-2-3-8-15(14)19-16/h2-10H,1H3,(H,18,20)
  • InChiKey: KMQONQZSHKRRGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(2-quinoxalinyloxy)phenyl]acetamide
  • N-(3-quinoxalin-2-yloxyphenyl)ethanamide
  • Oprea1_405617
  • 3D-044
  • MLS000543115
  • SMR000169084
  • ZINC01384774
  • Bionet2_001433

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr 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 recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
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
Brugia malayi RNA 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 granulosus tar DNA binding 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
Schistosoma mansoni tar DNA-binding 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4167 0.4167
Schistosoma mansoni tyrosine kinase 0.0086 0.4792 0.4864
Schistosoma mansoni tyrosine kinase 0.0088 0.4913 0.4987
Schistosoma mansoni tyrosine kinase 0.0053 0.2589 0.2627
Loa Loa (eye worm) TK/EGFR protein kinase 0.0163 0.9853 0.9853
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0165 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4167 0.4229
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0053 0.2589 0.2498
Loa Loa (eye worm) hypothetical protein 0.0016 0.017 0.017
Echinococcus multilocularis 0.005 0.2421 0.2325
Echinococcus granulosus insulin receptor 0.0053 0.2589 0.2627
Echinococcus multilocularis insulin receptor 0.0053 0.2589 0.2498
Schistosoma mansoni tyrosine kinase 0.0086 0.4792 0.4864
Onchocerca volvulus Tyrosine kinase homolog 0.0154 0.9287 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4167 0.2129
Schistosoma mansoni tyrosine kinase 0.0088 0.4913 0.4987
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4167 0.4167
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0053 0.2589 0.2627
Echinococcus multilocularis epidermal growth factor receptor 0.0088 0.4913 0.4899
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4167 0.4128
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0088 0.4913 0.4987
Echinococcus multilocularis epidermal growth factor receptor 0.0163 0.9853 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4167 0.4229
Brugia malayi Furin-like cysteine rich region family protein 0.0163 0.9853 0.9801
Brugia malayi TAR-binding protein 0.0076 0.4167 0.2129
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4167 0.4229
Loa Loa (eye worm) TK/INSR protein kinase 0.0053 0.2589 0.2589
Schistosoma mansoni tyrosine kinase 0.0163 0.9853 1
Echinococcus granulosus roundabout 2 0.0016 0.017 0.0173
Echinococcus granulosus epidermal growth factor receptor 0.0088 0.4913 0.4987
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4167 0.4229
Echinococcus granulosus epidermal growth factor receptor 0.0163 0.9853 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.017 0.017
Schistosoma mansoni tyrosine kinase 0.0086 0.4792 0.4864
Echinococcus granulosus tar DNA binding protein 0.0076 0.4167 0.4229
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4167 0.4229
Loa Loa (eye worm) RNA binding protein 0.0076 0.4167 0.4167
Schistosoma mansoni tyrosine kinase 0.0053 0.2589 0.2627
Brugia malayi RNA binding protein 0.0076 0.4167 0.2129

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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