Detailed information for compound 628390

Basic information

Technical information
  • TDR Targets ID: 628390
  • Name: Oprea1_810829
  • MW: 413.313 | Formula: C14H13BrN4O2S2
  • H donors: 2 H acceptors: 4 LogP: 2.77 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Br)CSc1nnc(s1)NC(=O)C1CC1
  • InChi: 1S/C14H13BrN4O2S2/c15-9-3-5-10(6-4-9)16-11(20)7-22-14-19-18-13(23-14)17-12(21)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,20)(H,17,18,21)
  • InChiKey: GGSYHPOOVTZOTH-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
Echinococcus granulosus histone deacetylase 8 0.0018 0.0701 0.052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.3003 0.298
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Schistosoma mansoni cpg binding protein 0.0032 0.1405 0.1377
Schistosoma mansoni histone deacetylase 1 2 3 0.0018 0.0701 0.067
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Echinococcus granulosus cpg binding protein 0.0032 0.1405 0.1238
Loa Loa (eye worm) histone deacetylase 0.0018 0.0701 0.0431
Leishmania major histone deacetylase, putative 0.0062 0.2914 1
Loa Loa (eye worm) WD40 repeat protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0701 0.0431
Echinococcus granulosus histone deacetylase 6 0.0018 0.0701 0.052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Schistosoma mansoni histone deacetylase 0.0062 0.2914 0.2891
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0282 0.0093
Loa Loa (eye worm) hypothetical protein 0.0062 0.2914 0.2709
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Leishmania major histone deacetylase, putative 0.0062 0.2914 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Onchocerca volvulus 0.0205 1 1
Echinococcus granulosus histone deacetylase 1 0.0062 0.2914 0.2777
Echinococcus granulosus histone deacetylase 0.0018 0.0701 0.052
Echinococcus multilocularis histone deacetylase 7 0.0018 0.0701 0.052
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0701 0.052
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2914 1
Loa Loa (eye worm) histone deacetylase 7A 0.0018 0.0701 0.0431
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.2914 1
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0701 0.067
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0282 0.0093
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.2914 0.2709
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0158 0.0158
Echinococcus granulosus histone deacetylase 3 0.0062 0.2914 0.2777
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0158 0.0158
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.2914 0.2709
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Echinococcus multilocularis histone deacetylase 3 0.0062 0.2914 0.2777
Loa Loa (eye worm) histone deacetylase 11 0.0018 0.0701 0.0431
Plasmodium falciparum histone deacetylase 1 0.0062 0.2914 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Brugia malayi Histone deacetylase family protein 0.0018 0.0701 0.0437
Trypanosoma brucei histone deacetylase 1 0.0062 0.2914 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0701 0.067
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0701 0.052
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Echinococcus multilocularis histone deacetylase 1 0.0062 0.2914 0.2777
Echinococcus multilocularis cpg binding protein 0.0032 0.1405 0.1238
Echinococcus multilocularis protein will die slowly 0.0205 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Echinococcus granulosus histone deacetylase 6 0.0018 0.0701 0.052
Brugia malayi Histone deacetylase 1 0.0062 0.2914 0.2713
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0701 0.067
Echinococcus multilocularis histone deacetylase 0.0018 0.0701 0.052
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.2914 0.2713
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.2914 0.2713
Echinococcus granulosus protein will die slowly 0.0205 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0701 0.067
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.2663 0.8863
Trichomonas vaginalis WD repeat domain, putative 0.0205 1 1
Echinococcus multilocularis geminin 0.0178 0.8679 0.8653
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0701 0.052
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus histone deacetylase 6 0.0018 0.0701 0.052
Brugia malayi Histone deacetylase family protein 0.0018 0.0701 0.0437
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.2914 1
Schistosoma mansoni hypothetical protein 0.0178 0.8679 0.8675
Brugia malayi CXXC zinc finger family protein 0.003 0.1319 0.1073
Entamoeba histolytica histone deacetylase, putative 0.0062 0.2914 0.5
Schistosoma mansoni histone deacetylase 0.0062 0.2914 0.2891
Schistosoma mansoni cpg binding protein 0.003 0.1319 0.1291
Giardia lamblia Histone deacetylase 0.0062 0.2914 0.5
Echinococcus granulosus geminin 0.0178 0.8679 0.8653
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.1319 0.1067
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.2914 1
Schistosoma mansoni cpg binding protein 0.0032 0.1405 0.1377
Echinococcus multilocularis histone deacetylase 8 0.0018 0.0701 0.052
Echinococcus granulosus histone deacetylase 7 0.0018 0.0701 0.052
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0158 0.0158
Brugia malayi histone deacetylase 11 0.0018 0.0701 0.0437
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2914 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0191 0.0158
Onchocerca volvulus 0.003 0.1319 0.0665
Schistosoma mansoni hypothetical protein 0.0178 0.8679 0.8675
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis helicase, putative 0.0007 0.0158 0.0158
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2914 0.2914
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0158 0.0158

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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