Detailed information for compound 685090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.593 | Formula: C20H22N2O6S3
  • H donors: 0 H acceptors: 5 LogP: 2.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCn1c(=NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c1ccc(c2)S(=O)(=O)C
  • InChi: 1S/C20H22N2O6S3/c1-4-28-11-10-22-17-9-8-16(31(3,26)27)13-18(17)29-20(22)21-19(23)14-6-5-7-15(12-14)30(2,24)25/h5-9,12-13H,4,10-11H2,1-3H3/b21-20+
  • InChiKey: PIFHJRWEZWPWTE-QZQOTICOSA-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
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0263 0.1261 0.5743
Loa Loa (eye worm) phosphofructokinase 0.0118 0.0488 0.1954
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0205 0.095 0.3565
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2176 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0133 0.0056
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0488 0.215
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0133 0.0276
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1895 1 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0133 0.0276
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0263 0.1261 0.4814
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0121 0.0205
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0203 0.0557
Brugia malayi mbt repeat family protein 0.0052 0.0133 0.061
Echinococcus multilocularis neuropeptide s receptor 0.0503 0.2549 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0133 0.0056
Brugia malayi 6-phosphofructokinase 0.0118 0.0488 0.2244
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0263 0.1261 0.5743
Loa Loa (eye worm) hypothetical protein 0.0059 0.0171 0.0443
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0118 0.0488 0.215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0121 0.023
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0434 0.2176 1
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0133 0.0276
Brugia malayi 6-phosphofructokinase 0.0118 0.0488 0.2244
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0121 0.0558
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0488 0.215
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0118 0.0488 0.0431
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0171 0.0243
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2176 1
Onchocerca volvulus 0.0052 0.0133 0.5
Echinococcus granulosus neuropeptide s receptor 0.0503 0.2549 1
Brugia malayi mbt repeat family protein 0.0052 0.0133 0.061
Echinococcus multilocularis neuropeptide receptor A26 0.0503 0.2549 1
Brugia malayi phosphofructokinase 0.0118 0.0488 0.2244
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0133 0.0259
Schistosoma mansoni hypothetical protein 0.0316 0.1545 0.6927
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0038 0.006 0.0034
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0434 0.2176 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0092 0.0066
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0434 0.2176 1
Loa Loa (eye worm) hypothetical protein 0.0434 0.2176 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0133 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0171 0.0431
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0488 0.215
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0488 0.215
Loa Loa (eye worm) hypothetical protein 0.0052 0.0133 0.0259
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0263 0.1261 0.5794
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0434 0.2176 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0267 0.0899
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1895 1 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2176 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0158 0.0701 0.3141
Echinococcus granulosus 6 phosphofructokinase 0.0118 0.0488 0.1706
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0171 0.0431
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0263 0.1261 0.5545
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0158 0.0701 0.3141
Loa Loa (eye worm) MBCTL1 0.0059 0.0171 0.0443
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0434 0.2176 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0434 0.2176 0.8497
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0263 0.1261 0.5637
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0133 0.0056
Echinococcus granulosus neuropeptide receptor A26 0.0503 0.2549 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0434 0.2176 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0121 0.023
Plasmodium falciparum phenylalanine--tRNA ligase 0.0196 0.0907 0.4096
Schistosoma mansoni bromodomain containing protein 0.0069 0.0224 0.0497
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0133 0.0276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0121 0.023
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0488 0.1786
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0488 0.1954
Loa Loa (eye worm) hypothetical protein 0.0046 0.0103 0.0119
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0488 0.215
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1895 1 1
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0434 0.2176 1
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0263 0.1261 0.4814
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0488 0.1786
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0121 0.023
Echinococcus multilocularis 6 phosphofructokinase 0.0118 0.0488 0.1706
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0205 0.095 0.3565
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0275 0.1329 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0171 0.0431
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2176 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0158 0.0701 0.2823
Brugia malayi Bromodomain containing protein 0.0082 0.0292 0.1341
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0488 0.215
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0158 0.0701 0.3141
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0434 0.2176 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0171 0.0431
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0434 0.2176 0.8497
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0488 0.215
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0171 0.0787
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0203 0.0557
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0488 0.1954
Mycobacterium ulcerans 6-phosphofructokinase 0.0118 0.0488 0.0431
Plasmodium falciparum phenylalanine--tRNA ligase 0.0263 0.1261 0.5743
Brugia malayi Bromodomain containing protein 0.0042 0.0078 0.0359

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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