Detailed information for compound 1703089

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.384 | Formula: C20H21NO5
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)c1cccc2c1occ2c1ccc(c(c1)OC)O
  • InChi: 1S/C20H21NO5/c1-24-10-4-9-21-20(23)15-6-3-5-14-16(12-26-19(14)15)13-7-8-17(22)18(11-13)25-2/h3,5-8,11-12,22H,4,9-10H2,1-2H3,(H,21,23)
  • InChiKey: NFZIHHHRDDWFLQ-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 TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 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
Brugia malayi RNA recognition motif domain containing protein 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
Loa Loa (eye worm) TAR-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
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
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
Loa Loa (eye worm) 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0081 0.0111 0.0111
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0477 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.0111
Echinococcus granulosus sodium and chloride dependent glycine 0.0081 0.0111 0.0111
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.0111
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0081 0.0111 0.0111
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0081 0.0111 0.0111
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0081 0.0111 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0081 0.0111 0.0111
Echinococcus multilocularis serotonin transporter 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Onchocerca volvulus 0.0477 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Loa Loa (eye worm) norepinephrine transporter 0.0477 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0081 0.0111 0.0111
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.0111
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.0111
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0081 0.0111 0.0111
Toxoplasma gondii hypothetical protein 0.0081 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Loa Loa (eye worm) serotonin transporter b 0.0477 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0081 0.0111 0.0111
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0477 1 1
Plasmodium vivax amine transporter, putative 0.0081 0.0111 0.5
Toxoplasma gondii hypothetical protein 0.0081 0.0111 0.5
Plasmodium falciparum transporter, putative 0.0081 0.0111 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0081 0.0111 0.0111
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Echinococcus multilocularis sodium and chloride dependent glycine 0.0081 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Plasmodium falciparum amino acid transporter, putative 0.0081 0.0111 0.5
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0111 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Echinococcus granulosus serotonin transporter 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0081 0.0111 0.0111
Echinococcus granulosus sodium and chloride dependent glycine 0.0081 0.0111 0.0111
Brugia malayi hypothetical protein 0.0081 0.0111 0.0111
Echinococcus multilocularis sodium and chloride dependent glycine 0.0081 0.0111 0.0111
Schistosoma mansoni sodium-dependent amino acid transporter 0.0081 0.0111 0.0111
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0081 0.0111 0.0111
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0081 0.0111 0.0111
Schistosoma mansoni sodium/chloride dependent transporter 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Treponema pallidum sodium- and chloride- dependent transporter 0.0477 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0111 0.0111
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.0111 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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