Detailed information for compound 1344060

Basic information

Technical information
  • TDR Targets ID: 1344060
  • Name: STK265418
  • MW: 287.31 | Formula: C16H17NO4
  • H donors: 1 H acceptors: 2 LogP: 1.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)C1C2CC3C(C1C(=O)O3)C2
  • InChi: 1S/C16H17NO4/c1-20-10-4-2-3-9(7-10)17-15(18)13-8-5-11-12(6-8)21-16(19)14(11)13/h2-4,7-8,11-14H,5-6H2,1H3,(H,17,18)
  • InChiKey: NXUUHKMQIPGSQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000066660
  • N-(3-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide
  • SMR000082589

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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 diflavin oxidoreductase 0.0084 0.067 0.0633
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0149 0.297 0.8159
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0168 0.3641 0.6374
Schistosoma mansoni NADPH flavin oxidoreductase 0.0085 0.0715 0.0678
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0168 0.3641 1
Brugia malayi flavodoxin family protein 0.0168 0.3641 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0168 0.3641 1
Entamoeba histolytica type A flavoprotein, putative 0.0064 0 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0168 0.3641 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0168 0.3641 0.6374
Leishmania major p450 reductase, putative 0.0168 0.3641 1
Entamoeba histolytica type A flavoprotein, putative 0.0064 0 0.5
Brugia malayi FAD binding domain containing protein 0.0104 0.1385 0.3805
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0168 0.3641 1
Entamoeba histolytica type A flavoprotein, putative 0.0064 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0168 0.3641 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.004 0.0109
Entamoeba histolytica type A flavoprotein, putative 0.0064 0 0.5
Chlamydia trachomatis sulfite reductase 0.0104 0.1385 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0064 0 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0168 0.3641 1
Giardia lamblia Hypothetical protein 0.0149 0.297 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0168 0.3641 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0168 0.3641 0.6374
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5689 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.3641 1
Trichomonas vaginalis sulfite reductase, putative 0.0168 0.3641 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0168 0.3641 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0084 0.067 0.5
Brugia malayi FAD binding domain containing protein 0.0168 0.3641 1
Treponema pallidum flavodoxin 0.0064 0 0.5
Echinococcus multilocularis methionine synthase reductase 0.0104 0.1385 0.2382
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0104 0.1385 0.1351
Echinococcus granulosus methionine synthase reductase 0.0104 0.1385 0.2382
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0168 0.3641 0.6374
Plasmodium vivax flavodoxin domain containing protein 0.0149 0.297 0.8159
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.004 0.0109
Loa Loa (eye worm) MBCTL1 0.0066 0.004 0.0109
Giardia lamblia Nitric oxide synthase, inducible 0.0149 0.297 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0168 0.3641 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0168 0.3641 1
Trypanosoma cruzi p450 reductase, putative 0.0168 0.3641 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0104 0.1385 0.3805
Schistosoma mansoni cytochrome P450 reductase 0.0168 0.3641 0.3615
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5689 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0168 0.3641 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0084 0.067 0.5
Leishmania major cytochrome P450 reductase, putative 0.0149 0.297 0.8159
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0168 0.3641 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 44.6684 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

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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