Detailed information for compound 1811524

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.34 | Formula: C13H14N4O3S
  • H donors: 1 H acceptors: 3 LogP: 1.21 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/N=C/1\NC2(C)Oc3c(C(N1S(=O)(=O)C)C2)cccc3
  • InChi: 1S/C13H14N4O3S/c1-13-7-10(9-5-3-4-6-11(9)20-13)17(21(2,18)19)12(16-13)15-8-14/h3-6,10H,7H2,1-2H3,(H,15,16)
  • InChiKey: MGVZJTWQEGSONK-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
Giardia lamblia Histone deacetylase 0.0566 0.9874 0.5
Schistosoma mansoni tyrosine kinase 0.0184 0.301 0.157
Loa Loa (eye worm) hypothetical protein 0.0566 0.9874 1
Echinococcus multilocularis insulin receptor 0.0111 0.1708 0.1708
Schistosoma mansoni histone deacetylase 4 5 0.0558 0.9747 0.9695
Brugia malayi Histone deacetylase 1 0.0566 0.9874 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0171 0.278 0.1312
Plasmodium falciparum histone deacetylase 1 0.0566 0.9874 1
Brugia malayi histone deacetylase 11 0.0255 0.4284 0.3154
Schistosoma mansoni histone deacetylase 1 2 3 0.0255 0.4284 0.3106
Brugia malayi Histone deacetylase family protein 0.0558 0.9747 0.9845
Echinococcus granulosus epidermal growth factor receptor 0.0347 0.5939 0.5939
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0187 0.3062 0.3062
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0566 0.9874 0.5
Trypanosoma brucei histone deacetylase 1 0.0566 0.9874 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0111 0.1708 0.173
Echinococcus multilocularis 0.0107 0.1629 0.1629
Schistosoma mansoni histone deacetylase 4 5 0.0558 0.9747 0.9695
Echinococcus granulosus histone deacetylase 6 0.0558 0.9747 0.9747
Echinococcus granulosus insulin receptor 0.0111 0.1708 0.1708
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Echinococcus multilocularis histone deacetylase 6 0.0573 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0187 0.3062 0.3062
Brugia malayi histone deacetylase 3 (HD3) 0.0566 0.9874 1
Loa Loa (eye worm) histone deacetylase 1 0.0566 0.9874 1
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0347 0.5939 0.5939
Echinococcus multilocularis histone deacetylase 6 0.0558 0.9747 0.9747
Echinococcus multilocularis histone deacetylase 8 0.0255 0.4284 0.4284
Echinococcus granulosus histone deacetylase 1 0.0566 0.9874 0.9874
Loa Loa (eye worm) histone deacetylase 0.0558 0.9747 0.9872
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Echinococcus granulosus histone deacetylase 7 0.0558 0.9747 0.9747
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0566 0.9874 0.5
Plasmodium vivax histone deacetylase 2, putative 0.0558 0.9747 0.9774
Trypanosoma cruzi histone deacetylase, putative 0.0558 0.9747 0.9774
Loa Loa (eye worm) hypothetical protein 0.0255 0.4284 0.4338
Schistosoma mansoni histone deacetylase 0.0566 0.9874 0.9848
Trypanosoma brucei histone deacetylase 3 0.0558 0.9747 0.9774
Schistosoma mansoni tyrosine kinase 0.0184 0.301 0.157
Trypanosoma cruzi histone deacetylase, putative 0.0558 0.9747 0.9774
Schistosoma mansoni tyrosine kinase 0.0184 0.301 0.157
Echinococcus granulosus histone deacetylase 8 0.0255 0.4284 0.4284
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0171 0.278 0.2815
Schistosoma mansoni tyrosine kinase 0.0347 0.5939 0.5102
Trypanosoma cruzi histone deacetylase, putative 0.0558 0.9747 0.9774
Echinococcus granulosus histone deacetylase 3 0.0566 0.9874 0.9874
Schistosoma mansoni histone deacetylase hda2 0.0573 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0566 0.9874 1
Echinococcus granulosus histone deacetylase 6 0.0558 0.9747 0.9747
Schistosoma mansoni tyrosine kinase 0.0187 0.3062 0.1633
Onchocerca volvulus Tyrosine kinase homolog 0.016 0.2579 0.0554
Echinococcus multilocularis histone deacetylase 7 0.0558 0.9747 0.9747
Echinococcus granulosus histone deacetylase 0.0558 0.9747 0.9747
Loa Loa (eye worm) hypothetical protein 0.0304 0.5168 0.5234
Echinococcus multilocularis histone deacetylase 0.0558 0.9747 0.9747
Trypanosoma cruzi histone deacetylase 1, putative 0.0566 0.9874 1
Echinococcus multilocularis histone deacetylase 3 0.0566 0.9874 0.9874
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0566 0.9874 0.5
Trypanosoma brucei histone deacetylase, putative 0.0558 0.9747 0.9774
Loa Loa (eye worm) histone deacetylase 11 0.0255 0.4284 0.4338
Brugia malayi Histone deacetylase family protein 0.0558 0.9747 0.9845
Loa Loa (eye worm) histone deacetylase 7A 0.0558 0.9747 0.9872
Plasmodium vivax histone deacetylase 1, putative 0.0566 0.9874 1
Plasmodium vivax histone deacetylase, putative 0.0558 0.9747 0.9774
Schistosoma mansoni histone deacetylase 0.0566 0.9874 0.9848
Schistosoma mansoni tyrosine kinase 0.0187 0.3062 0.1633
Trypanosoma brucei histone deacetylase 4 0.0558 0.9747 0.9774
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Entamoeba histolytica histone deacetylase, putative 0.0566 0.9874 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Echinococcus multilocularis histone deacetylase 1 0.0566 0.9874 0.9874
Leishmania major histone deacetylase, putative 0.0566 0.9874 1
Toxoplasma gondii histone deacetylase HDAC1 0.0558 0.9747 0.9774
Loa Loa (eye worm) hypothetical protein 0.0318 0.542 0.549
Schistosoma mansoni histone deacetylase hda2 0.0255 0.4284 0.3106
Loa Loa (eye worm) histone deacetylase 3 0.0566 0.9874 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0255 0.4284 1
Echinococcus multilocularis histone deacetylase 6 0.0558 0.9747 0.9747
Brugia malayi Furin-like cysteine rich region family protein 0.0347 0.5939 0.5181
Trichomonas vaginalis histone deacetylase, putative 0.0566 0.9874 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0111 0.1708 0.1708
Toxoplasma gondii histone deacetylase HDAC3 0.0566 0.9874 1
Leishmania major histone deacetylase, putative 0.0566 0.9874 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0347 0.5939 0.6015
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0111 0.1708 0.1708
Brugia malayi histone deacetylase 1 (HD1) 0.0566 0.9874 1
Echinococcus multilocularis epidermal growth factor receptor 0.0187 0.3062 0.3062
Toxoplasma gondii histone deacetylase HDAC2 0.0566 0.9874 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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