Detailed information for compound 583864

Basic information

Technical information
  • TDR Targets ID: 583864
  • Name: trisodium (2S)-1,3-dioxo-2-(4-sulfonato-2-qui nolyl)indane-4,6-disulfonate
  • MW: 582.444 | Formula: C18H11NNa3O11S3
  • H donors: 0 H acceptors: 12 LogP: -0.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C1[C@H](c2nc3ccccc3c(c2)S(=O)(=O)[O-])C(=O)c2c1cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[NaH+].[NaH+].[NaH+]
  • InChi: 1S/C18H11NO11S3.3Na/c20-17-10-5-8(31(22,23)24)6-14(33(28,29)30)15(10)18(21)16(17)12-7-13(32(25,26)27)9-3-1-2-4-11(9)19-12;;;/h1-7,16H,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3/t16-;;;/m0.../s1
  • InChiKey: AMTPPJRIHDOHOI-OKUPDQQSSA-K  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • trisodium (2S)-1,3-dioxo-2-(4-sulfonatoquinolin-2-yl)indene-4,6-disulfonate
  • trisodium (2S)-1,3-diketo-2-(4-sulfonato-2-quinolyl)indane-4,6-disulfonate

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 multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.1883 0.4092
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.3027 0.2597
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.4601 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0018 0.0581 0.1263
Loa Loa (eye worm) oxidoreductase 0.0062 0.4601 0.4268
Schistosoma mansoni hypothetical protein 0.0032 0.1883 0.3555
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.8235 0.8127
Onchocerca volvulus 0.0062 0.4601 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.8235 0.8149
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.4601 0.4338
Brugia malayi hypothetical protein 0.0026 0.1301 0.0877
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.1301 0.179
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0018 0.0581 0.1263
Echinococcus multilocularis voltage gated potassium channel subunit 0.0018 0.0581 0.1263
Echinococcus multilocularis aldo keto reductase 0.0062 0.4601 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Schistosoma mansoni hypothetical protein 0.0069 0.5295 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.1883 0.1487
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Schistosoma mansoni pol-related 0.0062 0.4601 0.869
Echinococcus multilocularis GPCR, family 2 0.0032 0.1883 0.4092
Schistosoma mansoni hypothetical protein 0.0032 0.1883 0.3555
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.4601 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Mycobacterium leprae Conserved hypothetical protein 0.0044 0.2962 0.5922
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Schistosoma mansoni potassium channel beta 0.0018 0.0581 0.1098
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Leishmania major aldo-keto reductase-like protein 0.0062 0.4601 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0062 0.4601 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.3019 0.6562
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.4601 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.4601 0.4338
Trypanosoma brucei aldo-keto reductase, putative 0.0062 0.4601 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0062 0.4601 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Entamoeba histolytica aldose reductase, putative 0.0062 0.4601 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.1883 0.1382
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Echinococcus granulosus aldo keto reductase 0.0062 0.4601 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.1883 0.1487
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Brugia malayi NADH-dependent xylose reductase 0.0018 0.0581 0.0122
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Leishmania major hypothetical protein, conserved 0.0026 0.1301 0.179
Trypanosoma cruzi aldo-keto reductase 0.0062 0.4601 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Brugia malayi Cytochrome P450 family protein 0.0044 0.3027 0.2688
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.4601 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.5295 0.5066
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Mycobacterium ulcerans oxidoreductase 0.0062 0.4601 1
Onchocerca volvulus 0.0062 0.4601 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.3019 0.6562
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.1883 0.4092
Loa Loa (eye worm) hypothetical protein 0.0062 0.4601 0.4268
Trypanosoma brucei prostaglandin f synthase 0.0062 0.4601 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.4601 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.5295 0.5005
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0062 0.4601 1
Echinococcus granulosus aldo keto reductase 0.0062 0.4601 1
Echinococcus multilocularis aldehyde reductase 0.0044 0.2962 0.6437
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.1301 0.179
Toxoplasma gondii aldose reductase, putative 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase 0.0062 0.4601 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.3019 0.6562
Onchocerca volvulus 0.0062 0.4601 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1883 0.1382
Loa Loa (eye worm) oxidoreductase 0.0062 0.4601 0.4268
Loa Loa (eye worm) MH2 domain-containing protein 0.012 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1301 1
Loa Loa (eye worm) oxidoreductase 0.0062 0.4601 0.4268
Loa Loa (eye worm) oxidoreductase 0.0062 0.4601 0.4268
Entamoeba histolytica aldose reductase, putative 0.0062 0.4601 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1301 0.179
Schistosoma mansoni aldo-keto reductase 0.0062 0.4601 0.869
Echinococcus granulosus hypothetical protein 0.0062 0.4601 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0062 0.4601 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.4601 0.4338
Onchocerca volvulus 0.0062 0.4601 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.3019 0.6562
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0018 0.0581 0.0122
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1301 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.1883 0.4092
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1301 0.179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3019 0.5702
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3019 0.5702
Onchocerca volvulus 0.0062 0.4601 1
Echinococcus granulosus GPCR family 2 0.0032 0.1883 0.4092
Schistosoma mansoni hypothetical protein 0.0032 0.1883 0.3555
Echinococcus granulosus aldo keto reductase 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Loa Loa (eye worm) oxidoreductase 0.0062 0.4601 0.4268
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.8235 0.8127
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Entamoeba histolytica aldose reductase, putative 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.4601 1
Echinococcus multilocularis aldo keto reductase 0.0062 0.4601 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.8235 0.8149
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.1883 0.4092
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.4601 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.3019 0.2589
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Giardia lamblia Aldose reductase 0.0062 0.4601 0.5
Leishmania major prostaglandin f synthase, putative 0.0062 0.4601 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.1301 1
Echinococcus granulosus aldehyde reductase 0.0044 0.2962 0.6437
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.3019 0.2679
Schistosoma mansoni aldo-keto reductase 0.0062 0.4601 0.869
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.4601 0.4338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3019 0.5702
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Giardia lamblia Aldose reductase 0.0062 0.4601 0.5
Echinococcus multilocularis aldo keto reductase 0.0062 0.4601 1
Onchocerca volvulus 0.0062 0.4601 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.4601 1
Schistosoma mansoni hypothetical protein 0.0032 0.1883 0.3555
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0062 0.4601 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1301 0.0764

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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