Detailed information for compound 1582815

Basic information

Technical information
  • TDR Targets ID: 1582815
  • Name: diethyl 5-acetyl-1,3-dihydroindene-2,2-dicarb oxylate
  • MW: 304.338 | Formula: C17H20O5
  • H donors: 0 H acceptors: 3 LogP: 2.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(Cc2c(C1)ccc(c2)C(=O)C)C(=O)OCC
  • InChi: 1S/C17H20O5/c1-4-21-15(19)17(16(20)22-5-2)9-13-7-6-12(11(3)18)8-14(13)10-17/h6-8H,4-5,9-10H2,1-3H3
  • InChiKey: QJVTYLADDUSXJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • diethyl 5-acetylindane-2,2-dicarboxylate
  • 5-acetylindane-2,2-dicarboxylic acid diethyl ester
  • diethyl 5-ethanoyl-1,3-dihydroindene-2,2-dicarboxylate

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
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.1789 0.1749
Toxoplasma gondii glycosyltransferase 0.0062 0.1433 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.7842 0.7832
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.6474 0.6457
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.045 0.0409
Trichomonas vaginalis amylase, putative 0.0062 0.1433 0.1137
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0364 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.1433 0.1137
Loa Loa (eye worm) hypothetical protein 0.0038 0.0364 0.0317
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.6474 0.6457
Trichomonas vaginalis set domain proteins, putative 0.024 0.9099 1
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Loa Loa (eye worm) hypothetical protein 0.0062 0.1433 0.1392
Schistosoma mansoni alpha-amylase 0.0261 1 1
Brugia malayi Pre-SET motif family protein 0.0211 0.7842 0.7832
Schistosoma mansoni alpha-amylase 0.0261 1 1
Schistosoma mansoni alpha-amylase 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0081 0.0034
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1114 0.1071
Schistosoma mansoni chromobox protein 0.0071 0.1789 0.1749
Brugia malayi Heterochromatin protein 1 0.0071 0.1789 0.1749
Loa Loa (eye worm) hypothetical protein 0.004 0.045 0.0404
Mycobacterium tuberculosis Trehalose synthase TreS 0.0261 1 1
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0062 0.1433 0.1433
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Echinococcus granulosus chromobox protein 1 0.0071 0.1789 0.1789
Schistosoma mansoni alpha-amylase 0.0261 1 1
Chlamydia trachomatis glycogen hydrolase 0.0062 0.1433 0.5
Echinococcus multilocularis chromobox protein 1 0.0071 0.1789 0.1749
Trichomonas vaginalis amylase, putative 0.0062 0.1433 0.1137
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0261 1 1
Loa Loa (eye worm) alpha amylase 0.0261 1 1
Loa Loa (eye worm) pip kinase 2 0.0179 0.6474 0.6457
Trichomonas vaginalis amylase, putative 0.0062 0.1433 0.1137
Trichomonas vaginalis chromobox protein, putative 0.0071 0.1789 0.1548
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1114 0.1071
Plasmodium vivax SET domain protein, putative 0.003 0.0048 0.5
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0062 0.1433 0.1392
Echinococcus multilocularis chromobox protein 1 0.0071 0.1789 0.1749
Schistosoma mansoni chromobox protein 0.0071 0.1789 0.1749
Onchocerca volvulus 0.0042 0.0547 0.0516
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.058 0.0553
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0062 0.1433 0.1433
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1114 0.1071
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0261 1 0.5
Onchocerca volvulus 0.024 0.9099 1
Echinococcus granulosus alpha glucosidase 0.0261 1 1
Trichomonas vaginalis amylase, putative 0.0062 0.1433 0.1137
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0547 0.0501
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0062 0.1433 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.058 0.015
Brugia malayi Pip kinase protein 2 0.0179 0.6474 0.6457
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.6474 0.6457
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0062 0.1433 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Schistosoma mansoni hypothetical protein 0.0062 0.1433 0.1392
Onchocerca volvulus 0.0179 0.6474 0.7089
Brugia malayi chromobox protein homolog 3 0.004 0.045 0.0404
Mycobacterium ulcerans trehalose synthase TreS 0.0261 1 1
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0062 0.1433 0.1392
Schistosoma mansoni alpha-amylase 0.0261 1 1
Trichomonas vaginalis chromobox protein, putative 0.0071 0.1789 0.1548
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0261 1 1
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0062 0.1433 1
Schistosoma mansoni hypothetical protein 0.0038 0.0364 0.0317
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.6474 0.6474
Trichomonas vaginalis chromobox protein, putative 0.0043 0.058 0.015
Loa Loa (eye worm) alpha amylase 0.0261 1 1
Echinococcus granulosus chromobox protein 1 0.0071 0.1789 0.1789
Trichomonas vaginalis starch branching enzyme II, putative 0.0062 0.1433 0.1137
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0179 0.6474 0.6457
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0261 1 1
Schistosoma mansoni starch branching enzyme II 0.0062 0.1433 0.1392
Loa Loa (eye worm) hypothetical protein 0.0055 0.1114 0.1071
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0062 0.1433 0.1392
Echinococcus multilocularis alpha glucosidase 0.0261 1 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0062 0.1433 1
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.1433 0.1137
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0062 0.1433 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0008 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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