Detailed information for compound 1635440

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.379 | Formula: C18H14N2O6S
  • H donors: 3 H acceptors: 6 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O
  • InChi: 1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+
  • InChiKey: JYNBEDVXQNFTOX-FMQUCBEESA-N  


Substructure search Similarity search

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 1 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4933 0.4745
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0044 0.1069 0.0487
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.1069 0.0588
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0044 0.1069 0.1069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.7746 0.7663
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0597 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4924 0.4735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.6374 0.6239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Echinococcus granulosus serine protein kinase ATM 0.0044 0.1069 0.1069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.7746 0.7663
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0078 0.268 0.2605
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1069 0.0737
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.839 0.833
Echinococcus granulosus serine/threonine protein kinase 0.0023 0.01 0.01
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0034 0.0597 0.0597
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.268 0.2285
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0232 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0232 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1231 0.0904
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 1 1
Trypanosoma cruzi Protein kinase B 0.0023 0.01 0.01
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0185 0.7756 0.7609
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.011 0.4195 0.3816
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.1069 0.0588
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0232 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.01 0.01
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0359 0.0359
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0044 0.1069 0.1069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.268 0.2407
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0034 0.0597 0.0597
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.1307 0.0984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.7746 0.7663
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0232 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.5502 0.5335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4933 0.4745
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.5567 0.5402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Loa Loa (eye worm) hypothetical protein 0.0049 0.1307 0.0984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.268 0.2407
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0021 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0078 0.268 0.268
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0232 1 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1069 0.0737
Brugia malayi Protein kinase domain containing protein 0.0034 0.0612 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.6136 0.5992
Entamoeba histolytica protein kinase rad3, putative 0.0044 0.1069 0.1069
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.268 0.2407
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0078 0.268 0.268
Trypanosoma cruzi target of rapamycin kinase 3 0.0185 0.7756 0.7756
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0044 0.1069 0.1069
Entamoeba histolytica protein kinase, putative 0.0034 0.0612 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.1941 0.1641
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.268 0.2407
Schistosoma mansoni hypothetical protein 0.0034 0.0597 0.0501
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.268 0.2407
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0232 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0044 0.1069 0.1069
Loa Loa (eye worm) AGC/AKT protein kinase 0.0034 0.0612 0.0263
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0078 0.268 0.2203
Toxoplasma gondii FATC domain-containing protein 0.0044 0.1069 0.0837
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0096 0.3561 0.3141
Giardia lamblia GTOR 0.0232 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1069 0.0737
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.268 0.2407
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0078 0.268 0.2203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.5567 0.5402
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0078 0.268 0.268
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0078 0.268 0.268
Entamoeba histolytica hypothetical protein 0.0044 0.1069 0.1069
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0021 0 0.5
Brugia malayi FAT domain containing protein 0.0034 0.0597 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4933 0.4745
Echinococcus multilocularis serine protein kinase ATM 0.0044 0.1069 0.1069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.5502 0.5335
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0049 0.1307 0.1194
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0185 0.7756 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4933 0.4745
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.7746 0.7663
Echinococcus multilocularis rac serine:threonine kinase 0.0023 0.01 0.01
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0612 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4924 0.4735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.5567 0.5402
Loa Loa (eye worm) phosphatidylinositol 3 0.0232 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0032 0.0511 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.7746 0.7663
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.01 0.01
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0044 0.1069 0.0979
Schistosoma mansoni fkbp-rapamycin associated protein 0.0044 0.1069 0.0979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1069 0.0737
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0232 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.7178 0.7073
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.01 0.01
Entamoeba histolytica protein kinase, putative 0.0034 0.0612 0.0612
Loa Loa (eye worm) hypothetical protein 0.0034 0.0597 0.0247
Toxoplasma gondii target of rapamycin (TOR), putative 0.0173 0.7178 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.4924 0.4735
Entamoeba histolytica protein kinase, putative 0.0032 0.0511 0.0511
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0044 0.1069 0.1069

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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