Detailed information for compound 1549271

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.293 | Formula: C17H13F3N2O
  • H donors: 2 H acceptors: 2 LogP: 3.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)c1[nH]cc(n1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C17H13F3N2O/c18-17(19,20)13-8-6-11(7-9-13)14-10-21-16(22-14)15(23)12-4-2-1-3-5-12/h1-10,15,23H,(H,21,22)
  • InChiKey: LQOPONQJEQFBHE-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 macrophage expressed protein 0.0225 0.8219 0.8079
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0051 0.098 0.0272
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0268 1 1
Brugia malayi hypothetical protein 0.0045 0.0728 0.1911
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0051 0.098 0.5093
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1369 1
Schistosoma mansoni hypothetical protein 0.0045 0.0728 0.016
Loa Loa (eye worm) hypothetical protein 0.0045 0.0728 0.1911
Schistosoma mansoni rab6-interacting 0.0045 0.0728 0.016
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0051 0.098 0.5
Schistosoma mansoni loxhd1 0.0045 0.0728 0.016
Loa Loa (eye worm) hypothetical protein 0.0045 0.0728 0.1911
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0051 0.098 0.5
Schistosoma mansoni lipoxygenase 0.0268 1 1
Loa Loa (eye worm) doublecortin family protein 0.0045 0.0728 0.1911
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0051 0.098 0.5
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0051 0.098 0.5093
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0051 0.098 0.5
Schistosoma mansoni rab6-interacting 0.0045 0.0728 0.016
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0051 0.098 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1369 1
Brugia malayi hypothetical protein 0.0045 0.0728 0.1911
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0051 0.098 0.5
Schistosoma mansoni lipoxygenase 0.0187 0.665 0.6445
Schistosoma mansoni polycystin 1-related 0.0045 0.0728 0.016
Echinococcus multilocularis macrophage expressed protein 0.0225 0.8219 0.8079
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0051 0.098 0.0272
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0051 0.098 0.5
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0051 0.098 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1369 1
Plasmodium falciparum LCCL domain-containing protein 0.0045 0.0728 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1369 1
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0051 0.098 0.5
Schistosoma mansoni hypothetical protein 0.0225 0.8219 0.811
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0051 0.098 0.5
Onchocerca volvulus 0.0045 0.0728 1
Brugia malayi Doublecortin family protein 0.0045 0.0728 0.1911
Onchocerca volvulus 0.0045 0.0728 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0045 0.0728 0.5
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0051 0.098 0.0428

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

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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