Detailed information for compound 1711868

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.446 | Formula: C23H22N4O3
  • H donors: 2 H acceptors: 4 LogP: 1.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)c1ccnc2c1CC(O2)(C)C(=O)NCc1ccncc1
  • InChi: 1S/C23H22N4O3/c1-15(28)27-18-5-3-4-17(12-18)19-8-11-25-21-20(19)13-23(2,30-21)22(29)26-14-16-6-9-24-10-7-16/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,28)
  • InChiKey: HTZYVETYDOQCAO-UHFFFAOYSA-N  

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
Echinococcus granulosus hypothetical protein 0.0677 0.7387 1
Brugia malayi Serotonin receptor 0.0454 0.4879 0.5025
Brugia malayi Myb-like DNA-binding domain containing protein 0.0884 0.971 1
Onchocerca volvulus 0.0077 0.0651 0.0579
Echinococcus granulosus zinc finger protein 541 0.0026 0.0076 0.0103
Echinococcus multilocularis zinc finger protein 541 0.0026 0.0076 0.0104
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0462 0.0462
Loa Loa (eye worm) hypothetical protein 0.0077 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.006 0.0462 0.0462
Loa Loa (eye worm) hypothetical protein 0.0071 0.0584 0.0584
Schistosoma mansoni rest corepressor (corest) protein 0.0026 0.0076 0.1303
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0248 0.0256
Echinococcus granulosus SANT DNA binding 0.0026 0.0076 0.0103
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0071 0.0584 0.0798
Loa Loa (eye worm) hypothetical protein 0.0026 0.0076 0.0076
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.0016 0.0016
Schistosoma mansoni rest corepressor (corest) protein 0.0026 0.0076 0.1303
Echinococcus multilocularis conserved hypothetical protein 0.067 0.7309 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0041 0.0248 0.4254
Echinococcus granulosus metastasis associated protein MTA1 0.0026 0.0076 0.0103
Echinococcus multilocularis rest corepressor (corest) protein 0.0026 0.0076 0.0104
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0026 0.0076 0.0104
Echinococcus granulosus REST corepressor 3 0.0026 0.0076 0.0103
Brugia malayi Myb-like DNA-binding domain containing protein 0.0026 0.0076 0.0078
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0026 0.0076 0.1303
Echinococcus granulosus metastasis associated protein 1 mta1 0.0026 0.0076 0.0103
Loa Loa (eye worm) hypothetical protein 0.0884 0.971 0.971
Echinococcus granulosus mesoderm induction early response protein 1 0.0026 0.0076 0.0103
Onchocerca volvulus CoRest homolog 0.091 1 1
Brugia malayi ELM2 domain containing protein 0.0026 0.0076 0.0078
Echinococcus multilocularis metastasis associated protein MTA1 0.0026 0.0076 0.0104
Schistosoma mansoni zinc finger protein 0.0026 0.0076 0.1306
Loa Loa (eye worm) hypothetical protein 0.0041 0.0248 0.0248
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0462 0.0476
Plasmodium vivax hypothetical protein 0.0026 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0584 0.0584
Echinococcus multilocularis mesoderm induction early response protein 1 0.0026 0.0076 0.0104
Brugia malayi ELM2 domain containing protein 0.0026 0.0076 0.0078
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0071 0.0584 1
Brugia malayi SWIRM domain containing protein 0.0077 0.0651 0.067
Loa Loa (eye worm) GATA zinc finger family protein 0.0026 0.0076 0.0076
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0462 0.0476
Echinococcus multilocularis SANT, DNA binding 0.0026 0.0076 0.0104
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0016
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0026 0.0076 0.1303
Echinococcus granulosus lysine specific histone demethylase 1A 0.0071 0.0584 0.079
Loa Loa (eye worm) hypothetical protein 0.0026 0.0076 0.0076

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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

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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