Detailed information for compound 1365742

Basic information

Technical information
  • TDR Targets ID: 1365742
  • Name: 2-bromo-N-ethyl-4,7,7-trimethyl-3-oxobicyclo[ 2.2.1]heptane-1-carboxamide
  • MW: 302.207 | Formula: C13H20BrNO2
  • H donors: 1 H acceptors: 2 LogP: 2.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)C12CCC(C2(C)C)(C(=O)C1Br)C
  • InChi: 1S/C13H20BrNO2/c1-5-15-10(17)13-7-6-12(4,11(13,2)3)9(16)8(13)14/h8H,5-7H2,1-4H3,(H,15,17)
  • InChiKey: QUBGBAMKAQNKIG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-bromo-N-ethyl-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
  • 2-bromo-N-ethyl-4,7,7-trimethyl-3-oxo-1-norbornanecarboxamide
  • 2-bromo-N-ethyl-3-keto-4,7,7-trimethyl-norbornane-1-carboxamide
  • 2-bromo-N-ethyl-4,7,7-trimethyl-3-oxo-bicyclo[2.2.1]heptane-1-carboxamide
  • AF-399/42177120
  • MLS000698123
  • SMR000225334

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352

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) glutamate receptor 0.0335 0.7838 0.7838
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0304 0.6958 0.8878
Schistosoma mansoni metabotropic glutamate receptor 0.0281 0.6319 0.6929
Loa Loa (eye worm) hypothetical protein 0.0413 1 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0086 0.088 0.088
Loa Loa (eye worm) glutamate receptor 0.0132 0.2162 0.2162
Brugia malayi metabotropic glutamate receptor type 2 0.0163 0.3042 0.3881
Echinococcus multilocularis muscleblind protein 0.018 0.3518 0.3518
Loa Loa (eye worm) hypothetical protein 0.018 0.3518 0.3518
Brugia malayi Muscleblind-like protein 0.018 0.3518 0.4488
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0281 0.6319 0.6319
Loa Loa (eye worm) hypothetical protein 0.0086 0.088 0.088
Onchocerca volvulus Poor gastrulation protein homolog 0.0054 0 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 0.3518 0.3518
Echinococcus granulosus muscleblind protein 0.018 0.3518 0.3518
Echinococcus granulosus metabotropic glutamate receptor 2 0.0281 0.6319 0.6319
Schistosoma mansoni metabotropic glutamate receptor 0.0163 0.3042 0.3335
Brugia malayi Metabotropic glutamate receptor precursor. 0.0335 0.7838 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0086 0.088 0.088
Brugia malayi Receptor family ligand binding region containing protein 0.0086 0.088 0.1122
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0381 0.912 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0054 0 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0413 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.3518 0.3518

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 0.1778 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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 Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.