Detailed information for compound 1811855

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.464 | Formula: C20H30N2O3
  • H donors: 2 H acceptors: 3 LogP: 3.61 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCCC(=O)c1ccc(cc1)N1CCCCC1
  • InChi: 1S/C20H30N2O3/c23-19(9-5-2-1-3-6-10-20(24)21-25)17-11-13-18(14-12-17)22-15-7-4-8-16-22/h11-14,25H,1-10,15-16H2,(H,21,24)
  • InChiKey: OLADSRUXHBDNSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 8 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0064 0.0676 0.0818
Plasmodium falciparum histone deacetylase 2 0.0044 0.0159 0.1019
Brugia malayi Protein kinase domain containing protein 0.006 0.0581 0.3712
Trypanosoma brucei histone deacetylase, putative 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Toxoplasma gondii PAN domain-containing protein 0.0291 0.6468 1
Echinococcus multilocularis tissue type plasminogen activator 0.006 0.0581 0.3712
Schistosoma mansoni hypothetical protein 0.006 0.0581 0.0581
Plasmodium falciparum plasmepsin IV 0.0064 0.0676 0.432
Echinococcus granulosus tissue type plasminogen activator 0.006 0.0581 0.3712
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Toxoplasma gondii PAN domain-containing protein 0.0291 0.6468 1
Plasmodium vivax histone deacetylase 1, putative 0.0099 0.1564 1
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3031 0.3031
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 7 0.0044 0.0159 0.1019
Brugia malayi Histone deacetylase family protein 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 3 0.0099 0.1564 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.006 0.0581 0.2999
Loa Loa (eye worm) hypothetical protein 0.006 0.0581 0.3712
Echinococcus granulosus histone deacetylase 1 0.0099 0.1564 1
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Loa Loa (eye worm) TK/ROR protein kinase 0.006 0.0581 0.3712
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Plasmodium falciparum cysteine repeat modular protein 1 0.006 0.0581 0.3712
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0159 0.0159
Echinococcus multilocularis histone deacetylase 8 0.0044 0.0159 0.1019
Echinococcus granulosus histone deacetylase 7 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0064 0.0676 0.432
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Leishmania major histone deacetylase, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 1 0.0099 0.1564 1
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 0.0044 0.0159 0.1019
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0064 0.0676 0.432
Loa Loa (eye worm) histone deacetylase 7A 0.0044 0.0159 0.1019
Plasmodium vivax aspartyl proteinase, putative 0.0064 0.0676 0.3675
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0159 0.0159
Brugia malayi Kringle domain containing protein 0.006 0.0581 0.3712
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Plasmodium falciparum plasmepsin I 0.0064 0.0676 0.432
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0676 0.0676
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Trypanosoma brucei histone deacetylase 3 0.0044 0.0159 0.1019
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0159 0.0159
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1564 1
Entamoeba histolytica histone deacetylase, putative 0.0099 0.1564 1
Plasmodium falciparum plasmepsin II 0.0064 0.0676 0.432
Loa Loa (eye worm) hypothetical protein 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Brugia malayi Histone deacetylase 1 0.0099 0.1564 1
Toxoplasma gondii kringle domain-containing protein 0.006 0.0581 0.0668
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0159 0.0159
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 2 0.0044 0.0159 0.1019
Plasmodium vivax plasmepsin IV, putative 0.0064 0.0676 0.3675
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Brugia malayi histone deacetylase 3 (HD3) 0.0099 0.1564 1
Toxoplasma gondii histone deacetylase HDAC2 0.0099 0.1564 0.2227
Echinococcus multilocularis histone deacetylase 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 1 0.0099 0.1564 1
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Schistosoma mansoni histone deacetylase 0.0099 0.1564 0.1564
Echinococcus granulosus histone deacetylase 8 0.0044 0.0159 0.1019
Plasmodium falciparum plasmepsin VI 0.0064 0.0676 0.432
Brugia malayi histone deacetylase 1 (HD1) 0.0099 0.1564 1
Onchocerca volvulus 0.006 0.0581 1
Plasmodium falciparum histone deacetylase, putative 0.0044 0.0159 0.1019
Giardia lamblia Histone deacetylase 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 11 0.0044 0.0159 0.1019
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 3 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0064 0.0676 0.432
Echinococcus granulosus histone deacetylase 3 0.0099 0.1564 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0044 0.0159 0.0159
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 1 0.0099 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0676 0.432
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0064 0.0676 0.432
Leishmania major histone deacetylase, putative 0.0099 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1564 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0044 0.0159 0.2745
Brugia malayi Histone deacetylase family protein 0.0044 0.0159 0.1019
Toxoplasma gondii histone deacetylase HDAC3 0.0099 0.1564 0.2227
Leishmania major hypothetical protein, conserved 0.006 0.0581 0.3712
Plasmodium falciparum histone deacetylase 1 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 0.0044 0.0159 0.1019
Toxoplasma gondii aspartyl protease ASP1 0.0064 0.0676 0.0818
Brugia malayi histone deacetylase 11 0.0044 0.0159 0.1019
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0581 0.3712
Leishmania major histone deacetylase, putative 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 4 0.0044 0.0159 0.1019
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3031 0.3031
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Schistosoma mansoni histone deacetylase 0.0099 0.1564 0.1564
Leishmania major histone deacetylase, putative 0.0044 0.0159 0.1019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0095 uM Inhibition of Homo sapiens (human) HDAC8 ChEMBL. No reference

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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