Detailed information for compound 687935

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.401 | Formula: C20H23NO4
  • H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C)NC(=O)COc1cccc2c1OC(C2)(C)C
  • InChi: 1S/C20H23NO4/c1-13-10-15(8-9-16(13)23-4)21-18(22)12-24-17-7-5-6-14-11-20(2,3)25-19(14)17/h5-10H,11-12H2,1-4H3,(H,21,22)
  • InChiKey: ZHSRZDQCGHDUDC-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
Trypanosoma brucei histone deacetylase 2 0.0112 0.0938 0.2378
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Schistosoma mansoni histone deacetylase 4 5 0.0112 0.0938 0.2378
Schistosoma mansoni ets-related 0.0228 0.2434 0.6171
Echinococcus granulosus histone deacetylase 6 0.0112 0.0938 0.2134
Echinococcus multilocularis histone deacetylase 6 0.0112 0.0938 0.0938
Echinococcus multilocularis histone deacetylase 7 0.0112 0.0938 0.0938
Trypanosoma brucei histone deacetylase, putative 0.0112 0.0938 0.2378
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0112 0.0936 0.0936
Brugia malayi histone deacetylase 1 (HD1) 0.0344 0.3944 0.8974
Loa Loa (eye worm) hypothetical protein 0.0072 0.0428 0.1086
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0072 0.0428 0.1086
Giardia lamblia Histone deacetylase 0.0344 0.3944 0.5
Onchocerca volvulus Histone deacetylase 10 homolog 0.0112 0.0938 0.2134
Schistosoma mansoni histone deacetylase hda2 0.0112 0.0938 0.2378
Loa Loa (eye worm) histone deacetylase 3 0.0344 0.3944 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0112 0.0936 0.2372
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0112 0.0936 0.2129
Echinococcus multilocularis histone deacetylase 6 0.0112 0.0938 0.0938
Brugia malayi Ets-domain containing protein 0.0075 0.0461 0.105
Brugia malayi histone deacetylase 3 (HD3) 0.0344 0.3944 0.8974
Brugia malayi hypothetical protein 0.0112 0.0936 0.2129
Brugia malayi Fli-1 protein 0.0228 0.2434 0.5538
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0344 0.3944 1
Schistosoma mansoni histone deacetylase 0.0344 0.3944 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0112 0.0936 0.2372
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0112 0.0936 0.0936
Echinococcus multilocularis histone deacetylase 0.0112 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0268 0.2952 0.7485
Echinococcus multilocularis aminopeptidase N 0.0379 0.4395 0.4395
Toxoplasma gondii histone deacetylase HDAC4 0.0112 0.0938 0.2378
Loa Loa (eye worm) peptidase family M1 containing protein 0.0307 0.346 0.8771
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0072 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0112 0.0938 0.2378
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0112 0.0936 0.2372
Brugia malayi Ets-domain containing protein 0.0075 0.0461 0.105
Leishmania major histone deacetylase, putative 0.0344 0.3944 1
Echinococcus granulosus GA binding protein alpha chain 0.0075 0.0461 0.105
Plasmodium vivax histone deacetylase, putative 0.0112 0.0938 0.2378
Mycobacterium ulcerans aminopeptidase N PepN 0.0112 0.0936 1
Brugia malayi Histone deacetylase family protein 0.0112 0.0938 0.2134
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0112 0.0936 0.2129
Trypanosoma brucei histone deacetylase 3 0.0112 0.0938 0.2378
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0112 0.0936 0.0936
Schistosoma mansoni histone deacetylase hda2 0.0112 0.0938 0.2378
Schistosoma mansoni histone deacetylase 0.0344 0.3944 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0112 0.0936 0.2372
Brugia malayi Histone deacetylase 1 0.0344 0.3944 0.8974
Loa Loa (eye worm) hypothetical protein 0.0072 0.0428 0.1086
Plasmodium vivax histone deacetylase, putative 0.0112 0.0938 0.2378
Trypanosoma brucei histone deacetylase 1 0.0344 0.3944 1
Loa Loa (eye worm) histone deacetylase 7A 0.0112 0.0938 0.2378
Brugia malayi Histone deacetylase family protein 0.0112 0.0938 0.2134
Echinococcus multilocularis histone deacetylase 8 0.0112 0.0938 0.0938
Plasmodium falciparum histone deacetylase 1 0.0344 0.3944 1
Loa Loa (eye worm) hypothetical protein 0.0344 0.3944 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0072 0.0428 0.1086
Toxoplasma gondii histone deacetylase HDAC1 0.0112 0.0938 0.2378
Leishmania major histone deacetylase, putative 0.0112 0.0938 0.2378
Trypanosoma cruzi Aminopeptidase M1, putative 0.0112 0.0936 0.2372
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0112 0.0936 0.2129
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0075 0.0461 0.117
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.0938 0.2378
Echinococcus granulosus aminopeptidase N 0.0379 0.4395 1
Loa Loa (eye worm) histone deacetylase 11 0.0112 0.0938 0.2378
Brugia malayi Peptidase family M1 containing protein 0.0379 0.4395 1
Plasmodium vivax histone deacetylase 1, putative 0.0344 0.3944 1
Loa Loa (eye worm) histone deacetylase 0.0112 0.0938 0.2378
Echinococcus multilocularis histone deacetylase 1 0.0344 0.3944 0.3944
Plasmodium vivax histone deacetylase 2, putative 0.0112 0.0938 0.2378
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Echinococcus granulosus histone deacetylase 3 0.0344 0.3944 0.8974
Toxoplasma gondii histone deacetylase HDAC3 0.0344 0.3944 1
Echinococcus granulosus histone deacetylase 0.0112 0.0938 0.2134
Echinococcus granulosus histone deacetylase 6 0.0112 0.0938 0.2134
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0112 0.0936 0.0936
Schistosoma mansoni gabp alpha 0.0075 0.0461 0.117
Loa Loa (eye worm) hypothetical protein 0.034 0.3888 0.9857
Onchocerca volvulus 0.0112 0.0936 0.2129
Echinococcus granulosus histone deacetylase 6 0.0112 0.0938 0.2134
Leishmania major histone deacetylase, putative 0.0112 0.0938 0.2378
Trypanosoma cruzi histone deacetylase 1, putative 0.0344 0.3944 1
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0112 0.0936 0.0936
Plasmodium falciparum histone deacetylase 2 0.0112 0.0938 0.2378
Echinococcus granulosus histone deacetylase 7 0.0112 0.0938 0.2134
Brugia malayi histone deacetylase 11 0.0112 0.0938 0.2134
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0112 0.0936 0.2129
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0112 0.0936 0.2372
Trypanosoma cruzi histone deacetylase 1, putative 0.0344 0.3944 1
Onchocerca volvulus 0.0379 0.4395 1
Trypanosoma brucei histone deacetylase 4 0.0112 0.0938 0.2378
Leishmania major histone deacetylase, putative 0.0344 0.3944 1
Echinococcus multilocularis histone deacetylase 6 0.0112 0.0938 0.0938
Trypanosoma brucei Aminopeptidase M1, putative 0.0112 0.0936 0.2372
Schistosoma mansoni histone deacetylase 4 5 0.0112 0.0938 0.2378
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0112 0.0936 0.2372
Loa Loa (eye worm) fli-1 protein 0.0228 0.2434 0.6171
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0344 0.3944 1
Trypanosoma cruzi aminopeptidase, putative 0.0112 0.0936 0.2372
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.0938 0.2378
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.0938 0.2378
Echinococcus granulosus histone deacetylase 8 0.0112 0.0938 0.2134
Brugia malayi Peptidase family M1 containing protein 0.0112 0.0936 0.2129
Entamoeba histolytica histone deacetylase, putative 0.0344 0.3944 1
Toxoplasma gondii histone deacetylase HDAC2 0.0344 0.3944 1
Loa Loa (eye worm) histone deacetylase 1 0.0344 0.3944 1
Loa Loa (eye worm) aminopeptidase N 0.0112 0.0936 0.2372
Toxoplasma gondii histone deacetylase HDAC5 0.0112 0.0938 0.2378
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0344 0.3944 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0112 0.0938 0.2378
Trichomonas vaginalis histone deacetylase, putative 0.0344 0.3944 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0112 0.0936 0.2372
Echinococcus granulosus histone deacetylase 1 0.0344 0.3944 0.8974
Plasmodium falciparum histone deacetylase, putative 0.0112 0.0938 0.2378
Loa Loa (eye worm) hypothetical protein 0.0064 0.0321 0.0814
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0112 0.0936 0.2372
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0112 0.0936 0.0936
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.0938 0.2378
Echinococcus multilocularis GA binding protein alpha chain 0.0075 0.0461 0.0461
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0112 0.0936 0.2372
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.0938 0.2378
Echinococcus multilocularis histone deacetylase 3 0.0344 0.3944 0.3944

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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