Detailed information for compound 1705228

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.597 | Formula: C31H32N2O4
  • H donors: 1 H acceptors: 3 LogP: 4.15 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@@]12CCC=C2N(C(=O)[C@@H](C1)CC(=O)NCc1ccccc1)Cc1cccc2c1cccc2
  • InChi: 1S/C31H32N2O4/c1-2-37-30(36)31-17-9-16-27(31)33(21-24-14-8-13-23-12-6-7-15-26(23)24)29(35)25(19-31)18-28(34)32-20-22-10-4-3-5-11-22/h3-8,10-16,25H,2,9,17-21H2,1H3,(H,32,34)/t25-,31+/m1/s1
  • InChiKey: BAISGARYEFRURU-NJHZRGNWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0048 0.3736 1
Brugia malayi nuclear receptor NHR-88 0.0048 0.3736 0.3736
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0048 0.3736 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0048 0.3736 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0048 0.3736 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0048 0.3736 0.3736
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0048 0.3736 0.3736
Brugia malayi Steroid receptor seven-up type 2 0.0048 0.3736 0.3736
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0048 0.3736 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.3736 0.3736
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Brugia malayi nuclear hormone receptor 0.0048 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Brugia malayi ecdysteroid receptor 0.0048 0.3736 0.3736
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0048 0.3736 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0048 0.3736 0.5
Onchocerca volvulus 0.0048 0.3736 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0048 0.3736 0.3736
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.3736 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.3736 0.5
Schistosoma mansoni nuclear hormone receptor 0.0048 0.3736 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Schistosoma mansoni RAR-like nuclear receptor 0.0048 0.3736 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0048 0.3736 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0048 0.3736 0.3736
Onchocerca volvulus Protein ultraspiracle homolog 0.0048 0.3736 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.3736 0.3736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0048 0.3736 0.3736
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0048 0.3736 1
Schistosoma mansoni thyroid hormone receptor 0.0048 0.3736 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0048 0.3736 0.3736
Brugia malayi photoreceptor-specific nuclear receptor 0.0048 0.3736 0.3736
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0048 0.3736 0.3736
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.3736 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0048 0.3736 1
Brugia malayi steroid hormone receptor 0.0048 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.3736 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0048 0.3736 0.3736
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0048 0.3736 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0048 0.3736 0.3736
Echinococcus granulosus FTZ F1 alpha 0.0048 0.3736 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0048 0.3736 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0048 0.3736 0.3736
Echinococcus multilocularis ecdysone induced protein 78C 0.0048 0.3736 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0048 0.3736 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0048 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.3736 0.3736
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.3736 0.3736
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0048 0.3736 0.3736
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0048 0.3736 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0048 0.3736 0.3736
Echinococcus multilocularis FTZ F1 alpha 0.0048 0.3736 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0048 0.3736 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0048 0.3736 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0048 0.3736 0.3736
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.3736 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0048 0.3736 0.3736
Echinococcus granulosus ecdysone induced protein 78C 0.0048 0.3736 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.3736 0.3736
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0048 0.3736 0.5
Schistosoma mansoni coup transcription factor 0.0048 0.3736 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0048 0.3736 0.3736
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0048 0.3736 1
Schistosoma mansoni retinoic acid receptor RXR 0.0048 0.3736 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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