Detailed information for compound 1713254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 521.529 | Formula: C26H30F3N3O5
  • H donors: 0 H acceptors: 4 LogP: 4.4 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@H](N1CCN(CCC1=O)C(=O)c1ccc(cc1)C(F)(F)F)COCc1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C26H30F3N3O5/c1-18(2)15-23(17-37-16-19-3-9-22(10-4-19)32(35)36)31-14-13-30(12-11-24(31)33)25(34)20-5-7-21(8-6-20)26(27,28)29/h3-10,18,23H,11-17H2,1-2H3/t23-/m0/s1
  • InChiKey: NTGDSKCDQTYNBT-QHCPKHFHSA-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 Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2936 0.2551
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0518 0.0518
Schistosoma mansoni ap endonuclease 0.0026 0.0949 0.1475
Trichomonas vaginalis ap endonuclease, putative 0.0026 0.0949 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0026 0.0949 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.012 0.6433 0.6238
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1817 0.137
Echinococcus granulosus hypothetical protein 0.0111 0.5947 0.5947
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0026 0.0949 1
Echinococcus granulosus GPCR family 2 0.0019 0.0518 0.0518
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0026 0.0949 1
Echinococcus granulosus neutral sphingomyelinase 0.012 0.6433 0.6433
Echinococcus granulosus expressed conserved protein 0.0111 0.5947 0.5947
Echinococcus multilocularis conserved hypothetical protein 0.0111 0.5947 0.5947
Schistosoma mansoni hypothetical protein 0.0019 0.0518 0.0805
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0518 0.0518
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2936 0.2551
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0026 0.0949 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0026 0.0949 0.0455
Loa Loa (eye worm) hypothetical protein 0.006 0.2936 0.2551
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0026 0.0949 0.0949
Brugia malayi exodeoxyribonuclease III family protein 0.0026 0.0949 0.0455
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7871 0.7755
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0026 0.0949 0.5
Schistosoma mansoni ap endonuclease 0.0026 0.0949 0.1475
Brugia malayi MH2 domain containing protein 0.0144 0.7871 0.7755
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.1817 0.2824
Schistosoma mansoni hypothetical protein 0.0019 0.0518 0.0805
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0518 0.0518
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0026 0.0949 1
Echinococcus multilocularis muscleblind protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus multilocularis expressed conserved protein 0.0111 0.5947 0.5947
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0026 0.0949 0.5
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0518 0.0805
Onchocerca volvulus Putative neutral sphingomyelinase 0.012 0.6433 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0026 0.0949 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.6433 0.6238
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0518 0.0518
Schistosoma mansoni neutral sphingomyelinase 0.012 0.6433 1
Echinococcus multilocularis neutral sphingomyelinase 0.012 0.6433 0.6433
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0026 0.0949 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0518 0.0805
Echinococcus granulosus muscleblind protein 0.018 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2936 0.2551
Treponema pallidum exodeoxyribonuclease (exoA) 0.0026 0.0949 1
Toxoplasma gondii exonuclease III APE 0.0026 0.0949 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0026 0.0949 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0518 0.0518
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0026 0.0949 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1817 0.137
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7871 0.7755
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0026 0.0949 0.0949
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0026 0.0949 0.5

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
Potency (functional) 39.8107 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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