Detailed information for compound 1672351

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.105 | Formula: C10H11F2IN2O6
  • H donors: 3 H acceptors: 4 LogP: -0.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cc(I)c(nc1=O)OC(F)F
  • InChi: 1S/C10H11F2IN2O6/c11-9(12)21-7-3(13)1-15(10(19)14-7)8-6(18)5(17)4(2-16)20-8/h1,4-6,8-9,16-18H,2H2/t4-,5-,6+,8-/m1/s1
  • InChiKey: SKFJLLRZSYSDSV-MNCSTQPFSA-N  


Substructure search Similarity search

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
Schistosoma mansoni hypothetical protein 0.0197 0.2313 0.5103
Loa Loa (eye worm) hypothetical protein 0.01 0.0739 0.0756
Loa Loa (eye worm) RNA binding protein 0.0074 0.0306 0.0313
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0124 0.0124
Brugia malayi Muscleblind-like protein 0.0173 0.1933 1
Brugia malayi TAR-binding protein 0.0074 0.0306 0.1582
Toxoplasma gondii melibiase subfamily protein 0.0118 0.1024 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0124 0.0124
Brugia malayi Hint module family protein 0.01 0.0739 0.3824
Echinococcus multilocularis geminin 0.0197 0.2313 0.2313
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0078 0.0385 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0124 0.0124
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0306 0.0675
Brugia malayi Melibiase family protein 0.0078 0.0385 0.1994
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.1024 0.2259
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.2624 0.2624
Loa Loa (eye worm) hypothetical protein 0.0173 0.1933 0.1978
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.0385 0.085
Loa Loa (eye worm) MBCTL1 0.0062 0.0124 0.0126
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0124 0.0639
Echinococcus multilocularis muscleblind protein 1 0.0173 0.1933 0.1933
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.1024 0.2259
Echinococcus multilocularis muscleblind protein 0.0173 0.1933 0.1933
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0173 0.1933 0.1978
Schistosoma mansoni hypothetical protein 0.0197 0.2313 0.5103
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi Hint module family protein 0.01 0.0739 0.3824
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0306 0.1582
Echinococcus granulosus muscleblind protein 0.0173 0.1933 0.1933
Echinococcus granulosus Desert hedgehog protein 0.0369 0.5115 0.5115
Schistosoma mansoni hypothetical protein 0.0268 0.3483 0.7685
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.2624 0.2624
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0124 0.0273
Loa Loa (eye worm) hypothetical protein 0.0654 0.9775 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0385 0.0394
Echinococcus multilocularis smoothened 0.0668 1 1
Brugia malayi RNA binding protein 0.0074 0.0306 0.1582
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.1024 0.2259
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0306 0.0313
Loa Loa (eye worm) hypothetical protein 0.01 0.0739 0.0756
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0306 0.0313
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0118 0.1024 0.1024
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0306 0.0675
Echinococcus multilocularis hedgehog 0.0369 0.5115 0.5115
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.0385 0.085
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0118 0.1024 0.1024
Loa Loa (eye worm) hypothetical protein 0.0062 0.0124 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0306 0.0675
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0306 0.0675
Schistosoma mansoni hypothetical protein 0.0333 0.4533 1
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0306 0.0306
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0306 0.0675
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0118 0.1024 0.1024
Echinococcus granulosus geminin 0.0197 0.2313 0.2313
Echinococcus granulosus tar DNA binding protein 0.0074 0.0306 0.0306
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.1024 0.2259

Activities

No activities found for this compound.

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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