Detailed information for compound 1434168

Basic information

Technical information
  • TDR Targets ID: 1434168
  • Name: 1,7,7-trimethyl-2-oxo-N-(oxolan-2-ylmethyl)-3 -oxabicyclo[2.2.1]heptane-4-carboxamide
  • MW: 281.347 | Formula: C15H23NO4
  • H donors: 1 H acceptors: 2 LogP: 1.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NCC1CCCO1
  • InChi: 1S/C15H23NO4/c1-13(2)14(3)6-7-15(13,20-12(14)18)11(17)16-9-10-5-4-8-19-10/h10H,4-9H2,1-3H3,(H,16,17)
  • InChiKey: RBNNIWVLYVEDMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,7,7-trimethyl-2-oxo-N-(tetrahydrofuran-2-ylmethyl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide
  • 1,7,7-trimethyl-2-oxo-N-(2-tetrahydrofuranylmethyl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide
  • 2-keto-1,7,7-trimethyl-N-(tetrahydrofurfuryl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide
  • STOCK4S-13982
  • MLS000099621
  • SMR000074407
  • AF-399/41981313
  • 4,7,7-trimethyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5052 0.5082
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0018 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.1554 0.1554
Loa Loa (eye worm) hypothetical protein 0.0041 0.0868 0.0868
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0059 0.1554 0.2153
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0093 0.2878 0.2895
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0093 0.2878 0.2895
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0093 0.2878 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0181 0.6212 0.625
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0116 0.3728 0.375
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1324 0.1332
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1324 0.1332
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0221 0.7775 0.7822
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0814 0.0819
Loa Loa (eye worm) phosphatidylinositol 3 0.0093 0.2878 0.2878
Giardia lamblia GTOR 0.0278 0.994 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0053 0.1324 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.994 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0093 0.2878 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.2878 0.2895
Plasmodium vivax hypothetical protein, conserved 0.0018 0 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0093 0.2878 0.2895
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0093 0.2878 0.2895
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0041 0.0868 0.0873
Schistosoma mansoni fkbp-rapamycin associated protein 0.0053 0.1324 0.1332
Echinococcus multilocularis serine protein kinase ATM 0.0053 0.1324 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0639 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.7766 0.7813
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0018 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0597 0.0601
Toxoplasma gondii FATC domain-containing protein 0.0053 0.1324 0.1835
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0018 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Entamoeba histolytica hypothetical protein 0.0053 0.1324 0.1332
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0035 0.0639 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0165 0.5601 0.5634
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0053 0.1324 0.1332
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Mycobacterium leprae conserved hypothetical protein 0.0018 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0639 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0166 0.5664 0.5698
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0093 0.2878 0.2878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.2878 0.2895
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0688 0.0692
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1324 0.1332
Mycobacterium tuberculosis Conserved hypothetical protein 0.0018 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.1324 0.1324
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5052 0.5082
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0041 0.0868 0.0873
Trichomonas vaginalis PIKK family atypical protein kinase 0.0166 0.5664 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5043 0.5074
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0868 0.0873
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.994 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0221 0.7775 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.7766 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5043 0.5074
Loa Loa (eye worm) hypothetical protein 0.0031 0.0506 0.0506
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0688 0.0688
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0053 0.1324 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.2878 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.994 0.994
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.2165 0.2178
Loa Loa (eye worm) hypothetical protein 0.0057 0.148 0.148
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.994 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0597 0.0601
Plasmodium vivax hypothetical protein 0.0018 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.7766 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5043 0.5074
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0018 0 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0278 0.994 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0278 0.994 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0018 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0053 0.1324 0.1332
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0053 0.1324 0.1332
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.7766 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0165 0.5601 0.5634
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0688 0.0688
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.1324 0.1324
Brugia malayi FAT domain containing protein 0.0041 0.0868 0.0868
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.2878 0.2895
Entamoeba histolytica protein kinase rad3, putative 0.0053 0.1324 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.7766 0.7813
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0053 0.1324 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5052 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.5052 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0166 0.5664 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0187 0.6442 0.6481
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0093 0.2878 0.2895
Toxoplasma gondii target of rapamycin (TOR), putative 0.0207 0.7217 1
Schistosoma mansoni hypothetical protein 0.0041 0.0868 0.0873
Trichomonas vaginalis PIKK family atypical protein kinase 0.0207 0.7217 0.7261
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.1554 0.1563
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0688 0.0692
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0132 0.4339 0.4366
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0018 0 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0221 0.7775 0.7822
Echinococcus granulosus serine protein kinase ATM 0.0053 0.1324 0.1332
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0093 0.2878 0.2895
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0278 0.994 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0053 0.1324 0.1332
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0093 0.2878 0.2895
Loa Loa (eye worm) hypothetical protein 0.0035 0.0639 0.0639
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0814 0.0819
Loa Loa (eye worm) hypothetical protein 0.0053 0.1324 0.1324
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0278 0.994 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0278 0.994 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.2878 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0237 0.8386 0.8437
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.994 0.994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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