Detailed information for compound 343084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.341 | Formula: C19H16N2O5
  • H donors: 3 H acceptors: 5 LogP: 0.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/c1ccc2c(c1)C(=O)N(C2=O)Cc1ccc(cc1)CO
  • InChi: 1S/C19H16N2O5/c22-11-14-3-1-13(2-4-14)10-21-18(24)15-7-5-12(6-8-17(23)20-26)9-16(15)19(21)25/h1-9,22,26H,10-11H2,(H,20,23)/b8-6+
  • InChiKey: WEVRMXIZWPUVEH-SOFGYWHQSA-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 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0175 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0175 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0175 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0175 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0175 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0175 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0175 0.5 0.5
Schistosoma mansoni coup transcription factor 0.0175 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0175 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0175 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0175 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0175 0.5 0.5
Brugia malayi steroid hormone receptor 0.0175 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0175 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0175 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0175 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0175 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0175 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0175 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0175 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0175 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0175 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0175 0.5 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0175 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0175 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0175 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0175 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0175 0.5 0.5
Onchocerca volvulus 0.0175 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0175 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0175 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0175 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0175 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0175 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0175 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0175 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0175 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0175 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0175 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0175 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0175 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 186 nM Effective concentration for inhibition of histone deacetylase ChEMBL. 16137884
EC50 (binding) = 186 nM Effective concentration for inhibition of histone deacetylase ChEMBL. 16137884

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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