Detailed information for compound 1811430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.275 | Formula: C20H19F4IN2O3
  • H donors: 2 H acceptors: 2 LogP: 4.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCC(NC(=O)c1c(I)cccc1C(=O)Nc1cc(F)cc(c1)C(F)(F)F)(C)C
  • InChi: 1S/C20H19F4IN2O3/c1-19(2,10-30-3)27-18(29)16-14(5-4-6-15(16)25)17(28)26-13-8-11(20(22,23)24)7-12(21)9-13/h4-9H,10H2,1-3H3,(H,26,28)(H,27,29)
  • InChiKey: AWBRTSDVBKAVMA-UHFFFAOYSA-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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0188 0.0454 0.5
Schistosoma mansoni tyrosine kinase 0.0067 0.0071 0.0068
Echinococcus granulosus epidermal growth factor receptor 0.3197 1 1
Echinococcus multilocularis histone deacetylase 8 0.0088 0.0138 0.0135
Echinococcus granulosus tyrosine protein kinase Blk 0.0063 0.0058 0.0055
Schistosoma mansoni tyrosine kinase 0.3197 1 1
Schistosoma mansoni histone deacetylase hda2 0.0088 0.0138 0.0135
Brugia malayi SRC-1 0.0067 0.0071 0.0068
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1026 0.3113 0.3111
Schistosoma mansoni plexin 0.0063 0.006 0.0057
Loa Loa (eye worm) histone deacetylase 1 0.0188 0.0454 0.0451
Loa Loa (eye worm) TK protein kinase 0.0063 0.0058 0.0055
Echinococcus granulosus plexin a4 0.0129 0.0268 0.0265
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0188 0.0454 0.5
Plasmodium falciparum histone deacetylase 2 0.0201 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0217 0.0214
Schistosoma mansoni tyrosine kinase 0.1721 0.5317 0.5316
Schistosoma mansoni tyrosine kinase 0.1026 0.3113 0.3111
Schistosoma mansoni histone deacetylase hda2 0.0206 0.0511 0.0508
Trypanosoma brucei histone deacetylase, putative 0.0201 0.0496 1
Brugia malayi Histone deacetylase family protein 0.0201 0.0496 0.0494
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0067 0.0071 0.0068
Schistosoma mansoni tyrosine kinase 0.1696 0.5239 0.5237
Echinococcus multilocularis histone deacetylase 3 0.0188 0.0454 0.0451
Loa Loa (eye worm) hypothetical protein 0.0088 0.0138 0.0135
Loa Loa (eye worm) TK protein kinase 0.0058 0.0044 0.0041
Echinococcus multilocularis 0.0988 0.2991 0.2989
Echinococcus granulosus tyrosine protein kinase Src64B 0.0067 0.0071 0.0068
Loa Loa (eye worm) plexin A 0.0129 0.0268 0.0265
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0861 0.2589 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0067 0.0071 0.0068
Onchocerca volvulus 0.0109 0.0204 1
Loa Loa (eye worm) histone deacetylase 3 0.0188 0.0454 0.0451
Loa Loa (eye worm) TK/EGFR protein kinase 0.3197 1 1
Brugia malayi histone deacetylase 3 (HD3) 0.0188 0.0454 0.0451
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Brugia malayi histone deacetylase 1 (HD1) 0.0188 0.0454 0.0451
Entamoeba histolytica protein kinase, putative 0.0058 0.0044 0.097
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1026 0.3113 0.3111
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0188 0.0454 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0188 0.0454 0.8811
Brugia malayi Protein kinase domain containing protein 0.1026 0.3113 0.3111
Trypanosoma brucei histone deacetylase 1 0.0188 0.0454 0.8811
Schistosoma mansoni tyrosine kinase 0.1696 0.5239 0.5237
Echinococcus granulosus tyrosine kinase 0.0063 0.0058 0.0055
Schistosoma mansoni histone deacetylase 4 5 0.0201 0.0496 0.0494
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0067 0.0071 0.0068
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Echinococcus granulosus histone deacetylase 8 0.0088 0.0138 0.0135
Plasmodium vivax histone deacetylase 2, putative 0.0201 0.0496 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0067 0.0071 0.0068
Schistosoma mansoni tyrosine kinase 0.0067 0.0071 0.0068
Echinococcus multilocularis histone deacetylase 6 0.0201 0.0496 0.0494
Echinococcus multilocularis plexin a4 0.0129 0.0268 0.0265
Echinococcus multilocularis histone deacetylase 6 0.0201 0.0496 0.0494
Loa Loa (eye worm) TK/INSR protein kinase 0.1026 0.3113 0.3111
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0067 0.0071 0.0068
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1721 0.5317 0.5316
Echinococcus granulosus histone deacetylase 6 0.0201 0.0496 0.0494
Schistosoma mansoni histone deacetylase 1 2 3 0.0088 0.0138 0.0135
Trypanosoma cruzi histone deacetylase 1, putative 0.0188 0.0454 0.8811
Echinococcus granulosus tyrosine protein kinase HCK 0.0058 0.0044 0.0041
Loa Loa (eye worm) hypothetical protein 0.0188 0.0454 0.0451
Trypanosoma cruzi histone deacetylase, putative 0.0201 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0231 0.0228
Schistosoma mansoni tyrosine kinase 0.1721 0.5317 0.5316
Brugia malayi histone deacetylase 11 0.0088 0.0138 0.0135
Trypanosoma cruzi histone deacetylase, putative 0.0201 0.0496 1
Leishmania major histone deacetylase, putative 0.0201 0.0496 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Echinococcus multilocularis tyrosine protein kinase Srms 0.0063 0.0058 0.0055
Trypanosoma brucei histone deacetylase 3 0.0201 0.0496 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0067 0.0071 0.0068
Loa Loa (eye worm) hypothetical protein 0.0109 0.0204 0.0201
Echinococcus granulosus histone deacetylase 7 0.0201 0.0496 0.0494
Echinococcus granulosus insulin receptor 0.1026 0.3113 0.3111
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0067 0.0071 0.0068
Brugia malayi Histone deacetylase 1 0.0188 0.0454 0.0451
Entamoeba histolytica histone deacetylase, putative 0.0188 0.0454 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0188 0.0454 0.8811
Echinococcus multilocularis insulin receptor 0.1026 0.3113 0.3111
Loa Loa (eye worm) SRC-1 0.0067 0.0071 0.0068
Echinococcus granulosus tyrosine protein kinase Lyn 0.0067 0.0071 0.0068
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Echinococcus multilocularis histone deacetylase 6 0.0206 0.0511 0.0508
Leishmania major histone deacetylase, putative 0.0201 0.0496 1
Echinococcus multilocularis epidermal growth factor receptor 0.1721 0.5317 0.5316
Schistosoma mansoni plexin 0.0109 0.0204 0.0201
Brugia malayi protein-tyrosine kinase 0.0063 0.0058 0.0055
Trypanosoma brucei histone deacetylase 4 0.0201 0.0496 1
Echinococcus granulosus histone deacetylase 0.0201 0.0496 0.0494
Schistosoma mansoni histone deacetylase 0.0188 0.0454 0.0451
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0063 0.0058 0.0055
Loa Loa (eye worm) histone deacetylase 0.0201 0.0496 0.0494
Loa Loa (eye worm) hypothetical protein 0.0063 0.006 0.0057
Mycobacterium ulcerans haloalkane dehalogenase 0.0861 0.2589 0.5
Echinococcus granulosus histone deacetylase 6 0.0201 0.0496 0.0494
Plasmodium vivax histone deacetylase 1, putative 0.0188 0.0454 0.8811
Schistosoma mansoni histone deacetylase 0.0188 0.0454 0.0451
Brugia malayi Histone deacetylase family protein 0.0201 0.0496 0.0494
Echinococcus granulosus epidermal growth factor receptor 0.1721 0.5317 0.5316
Echinococcus granulosus histone deacetylase 1 0.0188 0.0454 0.0451
Toxoplasma gondii histone deacetylase HDAC3 0.0188 0.0454 0.8811
Echinococcus multilocularis epidermal growth factor receptor 0.3197 1 1
Echinococcus multilocularis histone deacetylase 7 0.0201 0.0496 0.0494
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Plasmodium vivax histone deacetylase, putative 0.0201 0.0496 1
Echinococcus multilocularis histone deacetylase 1 0.0188 0.0454 0.0451
Giardia lamblia Histone deacetylase 0.0188 0.0454 0.5
Schistosoma mansoni tyrosine kinase 0.1696 0.5239 0.5237
Trypanosoma cruzi histone deacetylase, putative 0.0201 0.0496 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0088 0.0138 0.6727
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0063 0.0058 0.0055
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Loa Loa (eye worm) histone deacetylase 11 0.0088 0.0138 0.0135
Toxoplasma gondii histone deacetylase HDAC1 0.0201 0.0496 1
Echinococcus granulosus histone deacetylase 6 0.0206 0.0511 0.0508
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0067 0.0071 0.0068
Echinococcus granulosus histone deacetylase 3 0.0188 0.0454 0.0451
Trichomonas vaginalis histone deacetylase, putative 0.0188 0.0454 0.5
Plasmodium falciparum histone deacetylase, putative 0.0201 0.0496 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.0071 0.0068
Echinococcus multilocularis tyrosine protein kinase Blk 0.0063 0.0058 0.0055
Brugia malayi Plexin repeat family protein 0.0109 0.0204 0.0201
Echinococcus multilocularis tyrosine protein kinase HCK 0.0058 0.0044 0.0041
Schistosoma mansoni hypothetical protein 0.0063 0.006 0.0057
Brugia malayi plexin A 0.0129 0.0268 0.0265
Schistosoma mansoni histone deacetylase 4 5 0.0201 0.0496 0.0494
Echinococcus multilocularis histone deacetylase 0.0201 0.0496 0.0494
Schistosoma mansoni tyrosine kinase 0.1026 0.3113 0.3111
Loa Loa (eye worm) histone deacetylase 7A 0.0201 0.0496 0.0494
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0067 0.0071 0.0068

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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