Detailed information for compound 868842

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.544 | Formula: C23H27N3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N(C(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCCC1)CC
  • InChi: 1S/C23H27N3O2S/c1-4-16-10-12-17(13-11-16)25(5-2)23(28)20-15(3)19-21(29-20)24-18-9-7-6-8-14-26(18)22(19)27/h10-13H,4-9,14H2,1-3H3
  • InChiKey: XDCXAZATKWDZFM-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
Loa Loa (eye worm) hypothetical protein 0.0194 0.1297 1
Leishmania major histone deacetylase, putative 0.0194 0.1297 1
Plasmodium vivax histone deacetylase 2, putative 0.0194 0.1297 0.5
Leishmania major histone deacetylase, putative 0.0194 0.1297 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 1
Echinococcus granulosus geminin 0.0174 0.114 0.8789
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 0.5
Echinococcus multilocularis histone deacetylase 6 0.0194 0.1297 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0945 0.7123 0.5
Trypanosoma brucei histone deacetylase, putative 0.0194 0.1297 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0371 0.2671 1
Onchocerca volvulus 0.0155 0.0995 1
Plasmodium vivax histone deacetylase, putative 0.0194 0.1297 0.5
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0194 0.1297 1
Loa Loa (eye worm) histone deacetylase 7A 0.0194 0.1297 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0021 0.0164
Schistosoma mansoni histone deacetylase hda2 0.0194 0.1297 1
Echinococcus multilocularis histone deacetylase 6 0.0194 0.1297 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0299 0.2304
Brugia malayi hypothetical protein 0.0155 0.0995 0.7666
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0299 0.2304
Echinococcus multilocularis histone deacetylase 7 0.0194 0.1297 1
Trichomonas vaginalis MYB, putative 0.0029 0.0018 1
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0086 0.0666
Schistosoma mansoni histone deacetylase 4 5 0.0194 0.1297 1
Echinococcus granulosus histone deacetylase 0.0194 0.1297 1
Trypanosoma brucei histone deacetylase 3 0.0194 0.1297 1
Echinococcus granulosus histone deacetylase 7 0.0194 0.1297 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0086 0.0666
Schistosoma mansoni histone deacetylase 4 5 0.0194 0.1297 1
Plasmodium falciparum histone deacetylase 2 0.0194 0.1297 0.5
Brugia malayi Histone deacetylase family protein 0.0194 0.1297 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0299 1
Plasmodium falciparum histone deacetylase, putative 0.0194 0.1297 0.5
Echinococcus multilocularis histone deacetylase 0.0194 0.1297 1
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0945 0.7123 1
Toxoplasma gondii histone deacetylase HDAC1 0.0194 0.1297 0.4821
Echinococcus multilocularis geminin 0.0174 0.114 0.8789
Loa Loa (eye worm) hypothetical protein 0.0155 0.0995 0.7666
Loa Loa (eye worm) hypothetical protein 0.0194 0.1297 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0299 0.2304
Trypanosoma brucei histone deacetylase 4 0.0194 0.1297 1
Trypanosoma cruzi histone deacetylase, putative 0.0194 0.1297 1
Echinococcus granulosus histone deacetylase 6 0.0194 0.1297 1
Echinococcus granulosus histone deacetylase 6 0.0194 0.1297 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0299 0.2304
Brugia malayi Cytochrome P450 family protein 0.0029 0.0021 0.0164
Echinococcus granulosus histone deacetylase 6 0.0194 0.1297 1
Giardia lamblia Myb 1-like protein 0.0029 0.0018 0.5
Loa Loa (eye worm) histone deacetylase 0.0194 0.1297 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0299 0.2304
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0018 1
Echinococcus multilocularis histone deacetylase 6 0.0194 0.1297 1
Schistosoma mansoni hypothetical protein 0.0174 0.114 0.8789
Brugia malayi Histone deacetylase family protein 0.0194 0.1297 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0018 1
Schistosoma mansoni hypothetical protein 0.0174 0.114 0.8789
Trypanosoma cruzi histone deacetylase, putative 0.0194 0.1297 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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