Detailed information for compound 1588072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.835 | Formula: C20H19ClFN3O2
  • H donors: 2 H acceptors: 2 LogP: 4.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc(cc1c1n[nH]c(c1)C(=O)NCc1cccc(c1)Cl)F
  • InChi: 1S/C20H19ClFN3O2/c1-2-8-27-19-7-6-15(22)10-16(19)17-11-18(25-24-17)20(26)23-12-13-4-3-5-14(21)9-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,26)(H,24,25)
  • InChiKey: MHAJDLZEVALICC-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
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0327 0.944 0.9053
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0629 0.0629
Brugia malayi BRCA2 repeat family protein 0.0069 0.0934 0.0934
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0629 0.0629
Leishmania major replication factor A, 51kDa subunit, putative 0.0165 0.4085 0.5
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0344 1 0.5
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0344 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0629 0.0629
Trypanosoma brucei Replication factor A protein 1 0.0165 0.4085 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0344 1 1
Plasmodium vivax replication protein A1, large subunit, putative 0.0165 0.4085 0.5
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0308 0.8807 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0629 0.0629
Giardia lamblia Hypothetical protein 0.005 0.0301 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0344 1 1
Trypanosoma cruzi Replication factor A protein 1 0.0165 0.4085 0.5
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0165 0.4085 1
Plasmodium falciparum replication protein A1, large subunit 0.0165 0.4085 0.5
Schistosoma mansoni replication factor A 1 rfa1 0.0344 1 1
Loa Loa (eye worm) BRCA2 repeat family protein 0.0069 0.0934 0.0934
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0344 1 0.5
Entamoeba histolytica replication factor A protein 1, putative 0.0148 0.3525 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 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 TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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