Detailed information for compound 1748070

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.381 | Formula: C14H16N6O2S
  • H donors: 6 H acceptors: 2 LogP: 1.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O/N=C(/Nc1ccc(cc1)Sc1ccc(cc1)N/C(=N/O)/N)\N
  • InChi: 1S/C14H16N6O2S/c15-13(19-21)17-9-1-5-11(6-2-9)23-12-7-3-10(4-8-12)18-14(16)20-22/h1-8,21-22H,(H3,15,17,19)(H3,16,18,20)
  • InChiKey: ADUYOPVBXVJZMD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi histone deacetylase, putative 0.0744 0.4126 0.4126
Plasmodium falciparum histone deacetylase 1 0.1773 1 1
Echinococcus granulosus histone deacetylase 6 0.1199 0.6725 0.6725
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.1199 0.6725 0.6725
Giardia lamblia Histone deacetylase 0.1773 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0166 0.0828 0.0828
Leishmania major histone deacetylase, putative 0.1199 0.6725 0.6725
Schistosoma mansoni histone deacetylase 4 5 0.1199 0.6725 0.6725
Schistosoma mansoni tyrosine kinase 0.0598 0.3295 0.3295
Loa Loa (eye worm) hypothetical protein 0.0476 0.2599 0.2599
Echinococcus granulosus histone deacetylase 6 0.1199 0.6725 0.6725
Echinococcus granulosus histone deacetylase 7 0.1199 0.6725 0.6725
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.036 0.194 0.194
Schistosoma mansoni tyrosine kinase 0.0598 0.3295 0.3295
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Plasmodium vivax histone deacetylase 1, putative 0.1773 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.0744 0.4126 0.4126
Loa Loa (eye worm) histone deacetylase 1 0.1773 1 1
Schistosoma mansoni histone deacetylase hda2 0.122 0.6841 0.6841
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Trypanosoma cruzi histone deacetylase, putative 0.1199 0.6725 0.6725
Plasmodium falciparum histone deacetylase, putative 0.1199 0.6725 0.6725
Echinococcus granulosus epidermal growth factor receptor 0.1126 0.6306 0.6306
Plasmodium vivax histone deacetylase, putative 0.0744 0.4126 0.4126
Schistosoma mansoni tyrosine kinase 0.036 0.194 0.194
Echinococcus multilocularis histone deacetylase 6 0.1199 0.6725 0.6725
Plasmodium vivax histone deacetylase, putative 0.1199 0.6725 0.6725
Schistosoma mansoni histone deacetylase 1 2 3 0.0744 0.4126 0.4126
Brugia malayi Protein kinase domain containing protein 0.036 0.194 0.194
Toxoplasma gondii histone deacetylase HDAC2 0.1773 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.1773 1 1
Schistosoma mansoni histone deacetylase 0.1773 1 1
Loa Loa (eye worm) hypothetical protein 0.0744 0.4126 0.4126
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1773 1 1
Schistosoma mansoni tyrosine kinase 0.0598 0.3295 0.3295
Trypanosoma cruzi histone deacetylase, putative 0.1199 0.6725 0.6725
Loa Loa (eye worm) hypothetical protein 0.1773 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0605 0.3337 0.3337
Loa Loa (eye worm) histone deacetylase 3 0.1773 1 1
Schistosoma mansoni tyrosine kinase 0.036 0.194 0.194
Loa Loa (eye worm) histone deacetylase 11 0.0744 0.4126 0.4126
Toxoplasma gondii histone deacetylase HDAC3 0.1773 1 1
Trypanosoma brucei histone deacetylase, putative 0.1199 0.6725 0.6725
Schistosoma mansoni histone deacetylase hda2 0.0744 0.4126 0.4126
Echinococcus granulosus histone deacetylase 3 0.1773 1 1
Plasmodium falciparum histone deacetylase 2 0.1199 0.6725 0.6725
Echinococcus granulosus insulin receptor 0.036 0.194 0.194
Leishmania major histone deacetylase, putative 0.1773 1 1
Schistosoma mansoni tyrosine kinase 0.0605 0.3337 0.3337
Trypanosoma cruzi histone deacetylase 1, putative 0.1773 1 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.036 0.194 0.194
Trypanosoma brucei histone deacetylase 3 0.1199 0.6725 0.6725
Echinococcus granulosus epidermal growth factor receptor 0.0605 0.3337 0.3337
Echinococcus granulosus histone deacetylase 6 0.122 0.6841 0.6841
Onchocerca volvulus 0.0145 0.0713 0.1727
Leishmania major histone deacetylase, putative 0.1773 1 1
Echinococcus granulosus histone deacetylase 8 0.0744 0.4126 0.4126
Schistosoma mansoni histone deacetylase 4 5 0.1199 0.6725 0.6725
Echinococcus multilocularis histone deacetylase 7 0.1199 0.6725 0.6725
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2482 0.2482
Trypanosoma cruzi histone deacetylase, putative 0.1199 0.6725 0.6725
Echinococcus granulosus histone deacetylase 1 0.1773 1 1
Brugia malayi histone deacetylase 11 0.0744 0.4126 0.4126
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0166 0.0828 0.0828
Loa Loa (eye worm) histone deacetylase 0.1199 0.6725 0.6725
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1773 1 1
Brugia malayi Histone deacetylase 1 0.1773 1 1
Echinococcus multilocularis histone deacetylase 1 0.1773 1 1
Trypanosoma brucei histone deacetylase 1 0.1773 1 1
Leishmania major histone deacetylase, putative 0.1199 0.6725 0.6725
Loa Loa (eye worm) TK/EGFR protein kinase 0.1126 0.6306 0.6306
Trypanosoma brucei histone deacetylase 4 0.1199 0.6725 0.6725
Schistosoma mansoni tyrosine kinase 0.1126 0.6306 0.6306
Echinococcus multilocularis insulin receptor 0.036 0.194 0.194
Echinococcus granulosus histone deacetylase 0.1199 0.6725 0.6725
Echinococcus multilocularis histone deacetylase 6 0.122 0.6841 0.6841
Trypanosoma cruzi histone deacetylase 1, putative 0.1773 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1773 1 1
Echinococcus multilocularis histone deacetylase 6 0.1199 0.6725 0.6725
Trypanosoma brucei histone deacetylase 2 0.0744 0.4126 0.4126
Echinococcus multilocularis histone deacetylase 8 0.0744 0.4126 0.4126
Entamoeba histolytica histone deacetylase, putative 0.1773 1 1
Plasmodium vivax histone deacetylase 2, putative 0.1199 0.6725 0.6725
Onchocerca volvulus Histone deacetylase 10 homolog 0.0744 0.4126 1
Onchocerca volvulus Tyrosine kinase homolog 0.0155 0.0769 0.1862
Brugia malayi Histone deacetylase family protein 0.1199 0.6725 0.6725
Toxoplasma gondii histone deacetylase HDAC5 0.0744 0.4126 0.4126
Echinococcus multilocularis epidermal growth factor receptor 0.1126 0.6306 0.6306
Schistosoma mansoni tyrosine kinase 0.0605 0.3337 0.3337
Brugia malayi Furin-like cysteine rich region family protein 0.1126 0.6306 0.6306
Echinococcus multilocularis 0.0348 0.187 0.187
Brugia malayi Histone deacetylase family protein 0.1199 0.6725 0.6725
Trichomonas vaginalis histone deacetylase, putative 0.1773 1 1
Schistosoma mansoni histone deacetylase 0.1773 1 1
Echinococcus multilocularis histone deacetylase 3 0.1773 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.1199 0.6725 0.6725
Trypanosoma cruzi histone deacetylase, putative 0.0744 0.4126 0.4126
Loa Loa (eye worm) TK/INSR protein kinase 0.036 0.194 0.194
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0605 0.3337 0.3337
Echinococcus multilocularis histone deacetylase 0.1199 0.6725 0.6725

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.