Detailed information for compound 1584046

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.643 | Formula: C28H41N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(C(=O)C1=C(C)N(C(=O)C(C1)CC(=O)NC1CCCCC1)Cc1ccccc1)C(C)C)C
  • InChi: 1S/C28H41N3O3/c1-19(2)31(20(3)4)28(34)25-16-23(17-26(32)29-24-14-10-7-11-15-24)27(33)30(21(25)5)18-22-12-8-6-9-13-22/h6,8-9,12-13,19-20,23-24H,7,10-11,14-18H2,1-5H3,(H,29,32)
  • InChiKey: GICYPWILOKSYSG-UHFFFAOYSA-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0179 0.0231
Brugia malayi Metabotropic glutamate receptor precursor. 0.027 0.7748 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0226 0.6167 0.6167
Brugia malayi metabotropic glutamate receptor type 2 0.0131 0.2753 0.3554
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0069 0.0502 0.0502
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0179 0.0231
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0332 1 1
Loa Loa (eye worm) glutamate receptor 0.0106 0.1837 0.1837
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0307 0.9084 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0226 0.6167 0.6167
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0332 1 1
Loa Loa (eye worm) glutamate receptor 0.027 0.7748 0.7748
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0244 0.6832 0.8817
Schistosoma mansoni metabotropic glutamate receptor 0.0131 0.2753 0.3031
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0069 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0069 0.0502 0.0502
Schistosoma mansoni metabotropic glutamate receptor 0.0226 0.6167 0.6789
Loa Loa (eye worm) hypothetical protein 0.006 0.0179 0.0179
Brugia malayi Receptor family ligand binding region containing protein 0.0069 0.0502 0.0647

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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