Detailed information for compound 1707320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.703 | Formula: C29H39N3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.07 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)C1=C(C)N(C(=O)C(C1)CC(=O)NCc1cccs1)Cc1ccc(cc1)C(C)(C)C)CC
  • InChi: 1S/C29H39N3O3S/c1-7-31(8-2)28(35)25-16-22(17-26(33)30-18-24-10-9-15-36-24)27(34)32(20(25)3)19-21-11-13-23(14-12-21)29(4,5)6/h9-15,22H,7-8,16-19H2,1-6H3,(H,30,33)
  • InChiKey: RMKWFKDZACMWLR-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
Loa Loa (eye worm) doublecortin family protein 0.0418 0.1243 1
Schistosoma mansoni lipoxygenase 0.1595 0.6584 0.6099
Brugia malayi Doublecortin family protein 0.0418 0.1243 1
Toxoplasma gondii perforin-like protein PLP1 0.0192 0.0217 0.5
Echinococcus multilocularis macrophage expressed protein 0.1737 0.723 0.6836
Brugia malayi hypothetical protein 0.0418 0.1243 1
Loa Loa (eye worm) hypothetical protein 0.0418 0.1243 1
Brugia malayi hypothetical protein 0.0418 0.1243 1
Echinococcus granulosus macrophage expressed protein 0.1737 0.723 0.6836
Schistosoma mansoni lipoxygenase 0.2348 1 1
Onchocerca volvulus 0.0418 0.1243 0.5
Chlamydia trachomatis hypothetical protein 0.0192 0.0217 0.5
Loa Loa (eye worm) hypothetical protein 0.0418 0.1243 1
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0192 0.0217 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.2348 1 1
Onchocerca volvulus 0.0418 0.1243 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0418 0.1243 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0418 0.1243 1
Schistosoma mansoni hypothetical protein 0.1737 0.723 0.6836

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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