Detailed information for compound 1266528

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.374 | Formula: C20H17FN4O
  • H donors: 0 H acceptors: 3 LogP: 4.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1noc2c1c(ncn2)N(c1cccc(c1C)C)C
  • InChi: 1S/C20H17FN4O/c1-12-5-4-6-16(13(12)2)25(3)19-17-18(14-7-9-15(21)10-8-14)24-26-20(17)23-11-22-19/h4-11H,1-3H3
  • InChiKey: UYFDAWJDOCPZLH-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) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1546 0.1546
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Loa Loa (eye worm) carboxylesterase 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Echinococcus granulosus carboxylesterase 5A 0.014 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0084 0.2605 0.2605
Echinococcus multilocularis acetylcholinesterase 0.014 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1546 0.1546
Brugia malayi RNA binding protein 0.0076 0.1546 0.1546
Loa Loa (eye worm) acetylcholinesterase 1 0.014 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.2605 0.5
Brugia malayi Kringle domain containing protein 0.0084 0.2605 0.2605
Brugia malayi Protein kinase domain containing protein 0.0084 0.2605 0.2605
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1546 0.1546
Loa Loa (eye worm) hypothetical protein 0.0084 0.2605 0.2605
Plasmodium falciparum cysteine repeat modular protein 1 0.0084 0.2605 0.5
Brugia malayi TAR-binding protein 0.0076 0.1546 0.1546
Echinococcus multilocularis carboxylesterase 5A 0.014 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1546 0.1546
Schistosoma mansoni hypothetical protein 0.0084 0.2605 0.2605
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0084 0.2605 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1546 0.1546
Mycobacterium ulcerans hypothetical protein 0.0065 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.1546 0.1546
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1546 0.1546
Echinococcus multilocularis acetylcholinesterase 0.014 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1546 0.1546
Leishmania major hypothetical protein, conserved 0.0084 0.2605 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.014 1 1
Echinococcus granulosus acetylcholinesterase 0.014 1 1
Brugia malayi Carboxylesterase family protein 0.014 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1546 0.1546
Echinococcus granulosus tissue type plasminogen activator 0.0084 0.2605 0.2605
Echinococcus granulosus acetylcholinesterase 0.014 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.1546 0.1546
Loa Loa (eye worm) TK/ROR protein kinase 0.0084 0.2605 0.2605
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1546 0.1546
Onchocerca volvulus 0.0084 0.2605 1
Toxoplasma gondii kringle domain-containing protein 0.0084 0.2605 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 167.158 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of Transthyretin (TTR) transcription. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 55.162 uM PubChem BioAssay. Counterscreen for activators of Transthyretin (TTR) transcription: Luminescence-based cell-based high throughput dose response assay to identify inhibitors of Transthyretin (TTR) transcription in HuH7 hepatoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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