Detailed information for compound 1536343

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.362 | Formula: C19H18FN3O4
  • H donors: 2 H acceptors: 2 LogP: 3.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)NC(=O)c1n[nH]c(c1)c1cc(F)ccc1OC
  • InChi: 1S/C19H18FN3O4/c1-25-12-5-6-14(18(9-12)27-3)21-19(24)16-10-15(22-23-16)13-8-11(20)4-7-17(13)26-2/h4-10H,1-3H3,(H,21,24)(H,22,23)
  • InChiKey: FWYLPIGNGZZFIW-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
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 binding protein 0.0076 0.4591 0.4591
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4591 0.9448
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1767 0.1767
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.091 0.5
Brugia malayi TAR-binding protein 0.0076 0.4591 0.4591
Schistosoma mansoni hypothetical protein 0.0046 0.2193 0.4513
Schistosoma mansoni plexin 0.008 0.4859 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3289 0.3289
Leishmania major hypothetical protein, conserved 0.003 0.091 0.5
Loa Loa (eye worm) plexin A 0.0094 0.6028 0.6028
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4591 0.9448
Echinococcus granulosus tar DNA binding protein 0.0076 0.4591 0.7617
Schistosoma mansoni hypothetical protein 0.0041 0.1767 0.3635
Brugia malayi plexin A 0.0094 0.6028 0.6028
Echinococcus granulosus semaphorin 5B 0.0033 0.1144 0.1898
Loa Loa (eye worm) hypothetical protein 0.0046 0.2193 0.2193
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4591 0.7617
Brugia malayi hypothetical protein 0.002 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144
Echinococcus granulosus semaphorin 1A 0.0033 0.1144 0.1898
Brugia malayi hypothetical protein 0.0033 0.1144 0.1144
Schistosoma mansoni hypothetical protein 0.0033 0.1144 0.2355
Loa Loa (eye worm) hypothetical protein 0.008 0.4859 0.4859
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144
Echinococcus multilocularis hypothetical protein 0.0033 0.1144 0.1898
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4591 0.4591
Schistosoma mansoni hypothetical protein 0.0033 0.1144 0.2355
Schistosoma mansoni semaphorin 5-related 0.0033 0.1144 0.2355
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.091 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.091 0.5
Echinococcus multilocularis semaphorin 5B 0.0033 0.1144 0.1898
Brugia malayi Sema domain containing protein 0.0033 0.1144 0.1144
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4591 0.4591
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi hypothetical protein 0.003 0.091 0.091
Loa Loa (eye worm) hypothetical protein 0.006 0.3289 0.3289
Echinococcus granulosus plexin a4 0.0094 0.6028 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.091 0.5
Brugia malayi Plexin repeat family protein 0.008 0.4859 0.4859
Brugia malayi RNA binding protein 0.0076 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0041 0.1767 0.1767
Echinococcus multilocularis plexin a4 0.0094 0.6028 1
Brugia malayi hypothetical protein 0.0033 0.1144 0.1144
Brugia malayi Sema domain containing protein 0.0033 0.1144 0.1144
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4591 0.9448
Onchocerca volvulus 0.008 0.4859 1
Schistosoma mansoni plexin 0.0046 0.2193 0.4513
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4591 0.4591
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.003 0.091 0.091
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4591 0.9448
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.091 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0033 0.1144 0.1144
Loa Loa (eye worm) sema domain-containing protein 0.0033 0.1144 0.1144
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.091 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4591 0.9448
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.091 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1144 0.1144

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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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