Detailed information for compound 1809516

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 560.814 | Formula: C22H18BrClF3N3O2S
  • H donors: 0 H acceptors: 3 LogP: 6.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cc(sc1c1nc(nn1C)c1c(F)cccc1Cl)C1=CCC(CC1)OC(=O)C(Br)(F)F
  • InChi: 1S/C22H18BrClF3N3O2S/c1-11-10-16(12-6-8-13(9-7-12)32-21(31)22(23,26)27)33-18(11)20-28-19(29-30(20)2)17-14(24)4-3-5-15(17)25/h3-6,10,13H,7-9H2,1-2H3
  • InChiKey: HSDRWYPPTAODNE-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
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0191 0.0244 0.0657
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0187 0.0205 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0187 0.0205 0.5
Schistosoma mansoni tyrosine kinase 0.0284 0.1154 0.1133
Schistosoma mansoni tyrosine kinase 0.0284 0.1154 0.1133
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0171 0.0052 0.0028
Brugia malayi Protein kinase domain containing protein 0.0171 0.0052 0.0028
Schistosoma mansoni histone deacetylase 0.0187 0.0205 0.0181
Schistosoma mansoni tyrosine kinase 0.0284 0.1154 0.1133
Schistosoma mansoni tyrosine kinase 0.0287 0.1183 0.1162
Plasmodium vivax histone deacetylase 1, putative 0.0187 0.0205 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0171 0.0052 0.0052
Loa Loa (eye worm) TK/INSR protein kinase 0.0171 0.0052 0.0028
Toxoplasma gondii histone deacetylase HDAC3 0.0187 0.0205 0.0539
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0513 0.3373 0.3357
Echinococcus granulosus epidermal growth factor receptor 0.0287 0.1183 0.1162
Echinococcus multilocularis insulin receptor 0.0171 0.0052 0.0052
Brugia malayi Furin-like cysteine rich region family protein 0.0535 0.3588 0.3572
Leishmania major 0.0513 0.3373 1
Schistosoma mansoni tyrosine kinase 0.0535 0.3588 0.3572
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Echinococcus multilocularis histone deacetylase 7 0.0168 0.0024 0.0024
Brugia malayi fructose-1,6-bisphosphatase 0.0513 0.3373 0.3357
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Trypanosoma brucei histone deacetylase 1 0.0187 0.0205 0.0539
Loa Loa (eye worm) hypothetical protein 0.0187 0.0205 0.0181
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Leishmania major histone deacetylase, putative 0.0187 0.0205 0.0539
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0191 0.0244 0.0657
Loa Loa (eye worm) histone deacetylase 3 0.0187 0.0205 0.0181
Echinococcus multilocularis epidermal growth factor receptor 0.0535 0.3588 0.3588
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0513 0.3373 1
Echinococcus granulosus epidermal growth factor receptor 0.0535 0.3588 0.3572
Trypanosoma cruzi histone deacetylase 1, putative 0.0187 0.0205 0.0539
Entamoeba histolytica histone deacetylase, putative 0.0187 0.0205 0.5
Echinococcus granulosus histone deacetylase 1 0.0187 0.0205 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.1195 1 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0535 0.3588 0.3572
Echinococcus multilocularis histone deacetylase 6 0.0173 0.0071 0.0071
Echinococcus multilocularis c Jun NH2 terminal kinase 0.1195 1 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0513 0.3373 0.3357
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0187 0.0205 0.0181
Toxoplasma gondii fructose-bisphospatase II 0.0513 0.3373 1
Brugia malayi histone deacetylase 3 (HD3) 0.0187 0.0205 0.0181
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.1195 1 1
Echinococcus granulosus histone deacetylase 6 0.0173 0.0071 0.0047
Echinococcus multilocularis histone deacetylase 3 0.0187 0.0205 0.0205
Echinococcus granulosus histone deacetylase 3 0.0187 0.0205 0.0181
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0513 0.3373 0.3357
Trichomonas vaginalis histone deacetylase, putative 0.0187 0.0205 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0287 0.1183 0.1162
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0513 0.3373 1
Echinococcus multilocularis epidermal growth factor receptor 0.0287 0.1183 0.1183
Echinococcus multilocularis histone deacetylase 6 0.0168 0.0024 0.0024
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0191 0.0244 0.0657
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0187 0.0205 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0513 0.3373 0.3373
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0513 0.3373 1
Schistosoma mansoni tyrosine kinase 0.0171 0.0052 0.0028
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0191 0.0244 0.0657
Echinococcus granulosus insulin receptor 0.0171 0.0052 0.0028
Trypanosoma cruzi histone deacetylase 1, putative 0.0187 0.0205 0.0539
Toxoplasma gondii histone deacetylase HDAC2 0.0187 0.0205 0.0539
Echinococcus multilocularis histone deacetylase 0.0168 0.0024 0.0024
Echinococcus multilocularis histone deacetylase 1 0.0187 0.0205 0.0205
Echinococcus granulosus c-Jun N-terminal kinases 0.1195 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0187 0.0205 0.0181
Brugia malayi Histone deacetylase 1 0.0187 0.0205 0.0181
Schistosoma mansoni tyrosine kinase 0.0171 0.0052 0.0028
Schistosoma mansoni histone deacetylase 0.0187 0.0205 0.0181
Giardia lamblia Histone deacetylase 0.0187 0.0205 0.5
Toxoplasma gondii fructose-bisphospatase I 0.0191 0.0244 0.0657
Echinococcus multilocularis histone deacetylase 6 0.0168 0.0024 0.0024
Schistosoma mansoni histone deacetylase hda2 0.0173 0.0071 0.0047
Leishmania major histone deacetylase, putative 0.0187 0.0205 0.0539
Schistosoma mansoni tyrosine kinase 0.0287 0.1183 0.1162
Plasmodium falciparum histone deacetylase 1 0.0187 0.0205 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.
 
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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