Detailed information for compound 1752586

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.402 | Formula: C20H23NO3
  • H donors: 0 H acceptors: 2 LogP: 3.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(C)CCCN(C1)C(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C20H23NO3/c1-3-24-19(23)20(2)11-6-12-21(14-20)18(22)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3
  • InChiKey: QRNUDXZDNDMNDG-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
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Loa Loa (eye worm) histone deacetylase 7A 0.0192 0.5208 0.5208
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0143 0.312 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Loa Loa (eye worm) histone deacetylase 3 0.0303 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Brugia malayi Histone deacetylase family protein 0.0192 0.5208 0.3875
Echinococcus multilocularis histone deacetylase 3 0.0303 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1846 0.1846
Entamoeba histolytica histone deacetylase, putative 0.0303 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.2176 0.2176
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus multilocularis histone deacetylase 8 0.0121 0.2176 0.0405
Brugia malayi Histone deacetylase family protein 0.0192 0.5208 0.3875
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Brugia malayi Histone deacetylase 1 0.0303 1 1
Echinococcus multilocularis histone deacetylase 0.0192 0.5208 0.4123
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Echinococcus granulosus histone deacetylase 3 0.0303 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0192 0.5208 0.3875
Loa Loa (eye worm) histone deacetylase 0.0192 0.5208 0.5208
Leishmania major histone deacetylase, putative 0.0303 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0303 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0121 0.2176 0.2176
Echinococcus granulosus histone deacetylase 1 0.0303 1 1
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus granulosus histone deacetylase 8 0.0121 0.2176 0.0405
Trypanosoma brucei histone deacetylase 3 0.0192 0.5208 0.3875
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0143 0.312 0.5
Giardia lamblia Histone deacetylase 0.0303 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0303 1 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0143 0.312 0.5
Echinococcus granulosus histone deacetylase 7 0.0192 0.5208 0.4123
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Schistosoma mansoni histone deacetylase 0.0303 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus histone deacetylase 6 0.0192 0.5208 0.4123
Leishmania major histone deacetylase, putative 0.0303 1 1
Trypanosoma brucei histone deacetylase 4 0.0192 0.5208 0.3875
Trypanosoma brucei histone deacetylase 1 0.0303 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0303 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0303 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0143 0.312 0.1206
Plasmodium falciparum histone deacetylase 1 0.0303 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0192 0.5208 0.3875
Echinococcus multilocularis histone deacetylase 7 0.0192 0.5208 0.4123
Plasmodium vivax histone deacetylase 2, putative 0.0192 0.5208 0.3875
Loa Loa (eye worm) hypothetical protein 0.0303 1 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0143 0.312 0.5
Echinococcus granulosus histone deacetylase 0.0192 0.5208 0.4123
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Brugia malayi histone deacetylase 1 (HD1) 0.0303 1 1
Echinococcus multilocularis histone deacetylase 6 0.0192 0.5208 0.4123
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Toxoplasma gondii histone deacetylase HDAC3 0.0303 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Loa Loa (eye worm) histone deacetylase 1 0.0303 1 1
Schistosoma mansoni histone deacetylase 0.0303 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0192 0.5208 0.3875
Trypanosoma brucei histone deacetylase, putative 0.0192 0.5208 0.3875
Trichomonas vaginalis histone deacetylase, putative 0.0303 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0303 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0192 0.5208 0.3875
Schistosoma mansoni histone deacetylase hda2 0.0192 0.5208 0.3875
Echinococcus granulosus purine nucleoside phosphorylase 0.0143 0.312 0.1562
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0143 0.312 0.1206
Schistosoma mansoni purine nucleoside phosphorylase 0.0143 0.312 0.1206
Plasmodium vivax histone deacetylase, putative 0.0192 0.5208 0.3875
Echinococcus multilocularis purine nucleoside phosphorylase 0.0143 0.312 0.1562
Echinococcus multilocularis histone deacetylase 1 0.0303 1 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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