Detailed information for compound 685127

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.53 | Formula: C20H22N2O4S2
  • H donors: 0 H acceptors: 3 LogP: 3.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(=NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c1cc(C)cc2C
  • InChi: 1S/C20H22N2O4S2/c1-13-11-14(2)18-17(12-13)22(9-10-26-3)20(27-18)21-19(23)15-5-7-16(8-6-15)28(4,24)25/h5-8,11-12H,9-10H2,1-4H3/b21-20-
  • InChiKey: MQCXXROJSDLHEE-MRCUWXFGSA-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
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0178 0.0431
Plasmodium falciparum phenylalanine--tRNA ligase 0.0194 0.0884 0.4013
Brugia malayi 6-phosphofructokinase 0.0124 0.0509 0.2352
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0258 0.1225 0.5393
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0211 0.0557
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0124 0.0509 0.2255
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0138 0.0276
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.0509 0.2051
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0258 0.1225 0.5607
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0434 0.2164 1
Brugia malayi mbt repeat family protein 0.0054 0.0138 0.064
Schistosoma mansoni 6-phosphofructokinase 0.0124 0.0509 0.1877
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0434 0.2164 0.8096
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0138 0.0276
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0138 0.0058
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2164 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0277 0.1326 1
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.0509 0.2255
Echinococcus multilocularis neuropeptide s receptor 0.0526 0.2657 1
Brugia malayi phosphofructokinase 0.0124 0.0509 0.2352
Echinococcus granulosus neuropeptide s receptor 0.0526 0.2657 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0127 0.023
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0127 0.0215
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0178 0.0255
Echinococcus granulosus 6 phosphofructokinase 0.0124 0.0509 0.1706
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0434 0.2164 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0214 0.099 0.3565
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0127 0.023
Brugia malayi 6-phosphofructokinase 0.0124 0.0509 0.2352
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0138 0.0276
Loa Loa (eye worm) hypothetical protein 0.008 0.0278 0.0944
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.0509 0.2255
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0157 0.0687 0.3088
Loa Loa (eye worm) hypothetical protein 0.0046 0.0096 0.0069
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0138 0.0276
Brugia malayi mbt repeat family protein 0.0054 0.0138 0.064
Schistosoma mansoni 6-phosphofructokinase 0.0124 0.0509 0.1877
Loa Loa (eye worm) hypothetical protein 0.0434 0.2164 1
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0258 0.1225 0.4472
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0127 0.0585
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0258 0.1225 0.5607
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0258 0.1225 0.4472
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0157 0.0687 0.3088
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0138 0.0058
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0272
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0138 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0127 0.023
Loa Loa (eye worm) hypothetical protein 0.0049 0.0108 0.0125
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0214 0.099 0.3565
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.0509 0.2255
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0211 0.0557
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.0509 0.2255
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1901 1 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0434 0.2164 1
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0037 0.0046 0.0019
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.0509 0.2255
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0258 0.1225 0.5662
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2164 1
Echinococcus multilocularis neuropeptide receptor A26 0.0526 0.2657 1
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0434 0.2164 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0434 0.2164 0.8096
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0157 0.0687 0.3088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0127 0.023
Loa Loa (eye worm) hypothetical protein 0.0062 0.0178 0.0465
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.0509 0.2255
Onchocerca volvulus 0.0054 0.0138 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.0509 0.2255
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2164 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0434 0.2164 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0178 0.0431
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0124 0.0509 0.0465
Loa Loa (eye worm) MBCTL1 0.0062 0.0178 0.0465
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0138 0.0058
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0434 0.2164 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0434 0.2164 1
Echinococcus multilocularis 6 phosphofructokinase 0.0124 0.0509 0.1706
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0178 0.0431
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1901 1 1
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0138 0.0272
Mycobacterium ulcerans 6-phosphofructokinase 0.0124 0.0509 0.0465
Schistosoma mansoni bromodomain containing protein 0.0072 0.0233 0.0523
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.0509 0.2051
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0434 0.2164 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0157 0.0687 0.2751
Brugia malayi Bromodomain containing protein 0.0044 0.0081 0.0376
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0258 0.1225 0.5492
Brugia malayi Bromodomain containing protein 0.0085 0.0304 0.1406
Plasmodium falciparum phenylalanine--tRNA ligase 0.0258 0.1225 0.5607
Echinococcus granulosus neuropeptide receptor A26 0.0526 0.2657 1
Schistosoma mansoni hypothetical protein 0.033 0.161 0.728
Loa Loa (eye worm) phosphofructokinase 0.0124 0.0509 0.2051
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1901 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0178 0.0431
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0434 0.2164 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0178 0.0825

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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