Detailed information for compound 1459130

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.305 | Formula: C23H19BrFNO2
  • H donors: 0 H acceptors: 0 LogP: 6.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)c1n(C)c2c(c1c1ccc(cc1)F)cc(cc2)Br
  • InChi: 1S/C23H19BrFNO2/c1-26-21-9-6-16(24)12-20(21)22(14-4-7-17(25)8-5-14)23(26)15-10-18(27-2)13-19(11-15)28-3/h4-13H,1-3H3
  • InChiKey: XNKVGQSULXPWSJ-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 tyrosine protein phosphatase non receptor type 0.0342 0.547 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2417 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0342 0.547 0.5436
Onchocerca volvulus 0.0579 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0342 0.547 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0183 0.2417 0.236
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2417 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0268 0.4054 0.2563
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.2417 0.5
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.134 0.5
Trypanosoma cruzi endonuclease G, putative 0.0161 0.2006 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.2417 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Echinococcus granulosus ectonucleotide 0.0226 0.3247 0.3584
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0268 0.4054 0.2563
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0161 0.2006 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0226 0.3247 0.3584
Onchocerca volvulus 0.0268 0.4054 0.2159
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0268 0.4054 0.2563
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0342 0.547 0.5436
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0579 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0226 0.3247 0.3584
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Schistosoma mansoni hypothetical protein 0.0579 1 1
Echinococcus multilocularis ectonucleotide 0.0226 0.3247 0.3584
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Brugia malayi endonuclease G, mitochondrial precursor 0.0161 0.2006 0.1945
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0268 0.4054 0.401
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0183 0.2417 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0183 0.2417 0.236
Loa Loa (eye worm) hypothetical protein 0.0226 0.3247 0.3196
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Trypanosoma brucei endonuclease G, putative 0.0161 0.2006 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0183 0.2417 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0342 0.547 0.4333
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0161 0.2006 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0268 0.4054 0.2563
Trypanosoma brucei endonuclease G, putative 0.0161 0.2006 1
Leishmania major endonuclease G, putative 0.0161 0.2006 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2417 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2417 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.4054 0.401
Trypanosoma cruzi endonuclease G, putative 0.0161 0.2006 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2417 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0161 0.2006 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.4054 0.401
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2417 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Onchocerca volvulus 0.0268 0.4054 0.2159
Trypanosoma brucei endonuclease G, putative 0.0161 0.2006 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0268 0.4054 0.5914
Loa Loa (eye worm) hypothetical protein 0.0268 0.4054 0.401
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0161 0.2006 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 20.5962 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

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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