Detailed information for compound 980106

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.267 | Formula: C15H14F2O3
  • H donors: 0 H acceptors: 0 LogP: 3.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1ccc(cc1F)F
  • InChi: 1S/C15H14F2O3/c1-18-13-6-9(7-14(19-2)15(13)20-3)11-5-4-10(16)8-12(11)17/h4-8H,1-3H3
  • InChiKey: BYMAMZQWDGXMMH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii exonuclease III APE 0.0018 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0095 0.5742 0.5742
Loa Loa (eye worm) hypothetical protein 0.0032 0.1031 0.1031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Brugia malayi Transient-receptor-potential like protein 0.0035 0.1269 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.374 0.374
Loa Loa (eye worm) hypothetical protein 0.0076 0.4325 0.4325
Loa Loa (eye worm) hypothetical protein 0.006 0.3093 0.3093
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.0153 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0153 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0092 0.5504 0.5504
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0095 0.5742 0.5742
Echinococcus granulosus transient receptor potential gamma protein 0.0095 0.5742 0.5742
Schistosoma mansoni hypothetical protein 0.0153 1 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0145 0.9445 0.9445
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.3331 0.3331
Schistosoma mansoni transient receptor potential channel 0.0095 0.5742 0.5742
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0063 0.3331 0.3331
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0063 0.3331 0.3331
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.3331 0.3331
Loa Loa (eye worm) hypothetical protein 0.0095 0.5742 0.5742
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.3331 0.3331
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0092 0.5504 0.5504
Loa Loa (eye worm) hypothetical protein 0.0035 0.1269 0.1269
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.3331 0.3331
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.1269 0.1269

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 2 mM Inhibition of mushroom tyrosinase after 30 mins ChEMBL. 20729091

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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