Detailed information for compound 584901

Basic information

Technical information
  • TDR Targets ID: 584901
  • Name: sodium 2-(2,2-diphenylacetyl)indane-1,3-dione
  • MW: 364.369 | Formula: C23H17NaO3+
  • H donors: 0 H acceptors: 3 LogP: 4.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1.[NaH+]
  • InChi: 1S/C23H16O3.Na/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19-20H;/q;+1
  • InChiKey: YCKTVRYJMHFIRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • sodium 2-(1-oxo-2,2-diphenylethyl)indane-1,3-dione
  • sodium 2-(2,2-diphenylethanoyl)indene-1,3-dione
  • sodium 2-(2,2-diphenylacetyl)indane-1,3-quinone
  • sodium 2-(2,2-diphenylacetyl)indene-1,3-dione
  • 82-66-6
  • 82271-36-1
  • 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-, sodium salt

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 diuretic hormone 44 receptor GPRdih2 0.0015 0.0161 0.0172
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.2439 0.2644
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0161 0.0172
Brugia malayi jmjC domain containing protein 0.0061 0.1227 0.1227
Loa Loa (eye worm) hypothetical protein 0.0016 0.0179 0.0176
Echinococcus multilocularis cpg binding protein 0.003 0.0497 0.0537
Brugia malayi TAR-binding protein 0.0128 0.2796 0.2796
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2796 0.2909
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0695 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0695 0.0752
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1318 0.1316
Loa Loa (eye worm) RNA binding protein 0.0128 0.2796 0.2794
Schistosoma mansoni hypothetical protein 0.0175 0.3915 0.4145
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.1265 0.1369
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1318 0.1428
Loa Loa (eye worm) inositol-1 0.0038 0.0695 0.0693
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0161 0.0172
Echinococcus granulosus cpg binding protein 0.003 0.0497 0.0537
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2796 0.2909
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0179 0.0191
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0695 0.2285
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2796 0.2794
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0179 0.002
Echinococcus multilocularis Protein lozenge 0.0055 0.1078 0.1167
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.2439 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1265 0.1218
Loa Loa (eye worm) hypothetical protein 0.0049 0.0946 0.0944
Echinococcus granulosus geminin 0.0175 0.3915 0.4245
Loa Loa (eye worm) phosphofructokinase 0.0113 0.2439 0.2437
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.2439 0.2437
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1318 0.5041
Brugia malayi phosphofructokinase 0.0113 0.2439 0.2439
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0179 0.0191
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0179 0.0191
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.2439 0.2644
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0678 0.0733
Echinococcus multilocularis geminin 0.0175 0.3915 0.4245
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1318 0.4186
Echinococcus multilocularis GPCR, family 2 0.0015 0.0161 0.0172
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.2439 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.1227 0.1329
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0512 0.3812
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0695 0.2285
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0946 0.0946
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.2439 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.1227 0.1329
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0583 0.0583
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0695 0.5921
Schistosoma mansoni hypothetical protein 0.0175 0.3915 0.4145
Brugia malayi 6-phosphofructokinase 0.0113 0.2439 0.2439
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.9219 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0695 0.059
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.2439 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0179 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0161 0.0159
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.2439 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0583 0.058
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0512 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0695 0.0954
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1318 0.1428
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1318 0.5041
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0512 0.3812
Brugia malayi jmjC domain containing protein 0.0016 0.0179 0.0179
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0695 0.0752
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0512 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0161 0.0161
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0179 0.0176
Brugia malayi CXXC zinc finger family protein 0.0028 0.0459 0.0459
Brugia malayi Inositol-1 0.0038 0.0695 0.0695
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.1227 0.1329
Schistosoma mansoni hypothetical protein 0.0033 0.0583 0.0465
Schistosoma mansoni inositol monophosphatase 0.0038 0.0695 0.059
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0512 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0161 0.0172
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.2439 1
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.2439 0.2515
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2796 0.2909
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.2439 0.2437
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2796 0.2796
Schistosoma mansoni cpg binding protein 0.003 0.0497 0.0371
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0946 0.0946
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2796 0.2794
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1318 0.1318
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1318 0.1278
Echinococcus granulosus dnaJ subfamily B 0.0401 0.9219 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0946 0.0944
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0695 0.0954
Echinococcus granulosus GPCR family 2 0.0015 0.0161 0.0172
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.2439 1
Echinococcus granulosus tar DNA binding protein 0.0128 0.2796 0.3031
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0678 0.0733
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0512 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1318 0.5041
Loa Loa (eye worm) runx1 0.0055 0.1078 0.1075
Loa Loa (eye worm) hypothetical protein 0.0016 0.0179 0.0176
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1201 0.1148
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0512 1
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.2439 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2796 0.2909
Schistosoma mansoni hypothetical protein 0.0401 0.9219 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0179 0.0176
Brugia malayi 6-phosphofructokinase 0.0113 0.2439 0.2439
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.2439 1
Brugia malayi RNA binding protein 0.0128 0.2796 0.2796
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0695 0.0954
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0695 0.2285
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1265 0.1262
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0695 0.2285
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0179 0.0191
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1265 0.1218
Echinococcus granulosus phd:f box containing protein 0.0016 0.0179 0.0191
Loa Loa (eye worm) hypothetical protein 0.0016 0.0179 0.0176
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0161 0.0161
Brugia malayi jmjC domain containing protein 0.0016 0.0179 0.0179
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.2439 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0512 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0217 0.0232
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0161 0.0159
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0179 0.002
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0179 0.002
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0179 0.0191
Brugia malayi jmjC domain containing protein 0.0062 0.1265 0.1265
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1051 1
Schistosoma mansoni jumonji domain containing protein 0.0061 0.1227 0.1177
Schistosoma mansoni lozenge 0.0055 0.1078 0.1012
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0695 0.0954
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.2439 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0512 0.5
Schistosoma mansoni cpg binding protein 0.0028 0.0459 0.0329
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.2439 1
Brugia malayi jmjC domain containing protein 0.0016 0.0179 0.0179
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0179 0.0191
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1318 0.5041
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0512 0.3812
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0459 0.0457
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0179 0.002
Onchocerca volvulus 0.0435 1 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0179 0.0191
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0217 0.0232
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.2439 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2796 0.3031
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.2439 0.2515
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0179 0.0176
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.2439 1
Brugia malayi jmjC domain containing protein 0.0016 0.0179 0.0179
Schistosoma mansoni cpg binding protein 0.003 0.0497 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2796 0.2909

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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