Detailed information for compound 2075471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 565.527 | Formula: C21H29F6N3O6S
  • H donors: 3 H acceptors: 5 LogP: -1.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNC(=O)CN1CCOCC2(C1)CCCN(C2)Cc1cscc1
  • InChi: 1S/C17H27N3O2S.2C2HF3O2/c1-18-16(21)10-20-6-7-22-14-17(13-20)4-2-5-19(12-17)9-15-3-8-23-11-15;2*3-2(4,5)1(6)7/h3,8,11H,2,4-7,9-10,12-14H2,1H3,(H,18,21);2*(H,6,7)
  • InChiKey: FUACICRYRVRRBL-UHFFFAOYSA-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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0043 0.0908 0.4689
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.0744 1
Brugia malayi Pre-SET motif family protein 0.0302 0.8737 1
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0024 0.0316 0.5
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0015 0.0057 0.3667
Leishmania major S-adenosylmethionine decarboxylase 0.0038 0.0744 1
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.0744 1
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0057 0.0295
Loa Loa (eye worm) hypothetical protein 0.0137 0.3758 0.4301
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0038 0.0744 0.0852
Loa Loa (eye worm) hypothetical protein 0.0023 0.0288 0.0329
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.0908 0.4689
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0038 0.0744 1
Echinococcus multilocularis geminin 0.0077 0.1937 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0043 0.0908 0.4689
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0085 0.0437
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0302 0.8737 1
Schistosoma mansoni hypothetical protein 0.0077 0.1937 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0016 0.0085 0.0437
Brugia malayi NNMT/PNMT/TEMT family protein 0.0137 0.3758 0.4301
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0057 0.0295
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0018 0.0156 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0085 0.0437
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0038 0.0744 1
Echinococcus granulosus lysine specific demethylase 5A 0.0016 0.0085 0.0437
Brugia malayi jmjC domain containing protein 0.0016 0.0085 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.0908 0.4689
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0137 0.3758 0.4301
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0043 0.0908 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0908 0.104
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0038 0.0744 0.3841
Schistosoma mansoni hypothetical protein 0.0077 0.1937 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0018 0.0156 0.1716
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0908 0.4689
Schistosoma mansoni hypothetical protein 0.0026 0.0377 0.1946
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0085 0.0097
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0429 0.0491
Brugia malayi hypothetical protein 0.0024 0.0316 0.0362
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0042 0.086 0.444
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0043 0.0908 0.4689
Onchocerca volvulus 0.0043 0.0908 0.0908
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0015 0.0057 0.0295
Schistosoma mansoni jumonji domain containing protein 0.0035 0.0645 0.3329
Trichomonas vaginalis set domain proteins, putative 0.0344 1 1
Plasmodium vivax SET domain protein, putative 0.0043 0.0908 1
Echinococcus granulosus jumonji domain containing protein 0.0019 0.0158 0.0814
Echinococcus granulosus geminin 0.0077 0.1937 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.0908 0.4689
Echinococcus multilocularis jumonji domain containing protein 0.0019 0.0158 0.0814
Echinococcus granulosus protein arginine N methyltransferase 8 0.0015 0.0057 0.0295
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0057 0.0295
Echinococcus granulosus protein arginine methyltransferase 0.0015 0.0057 0.0295
Loa Loa (eye worm) hypothetical protein 0.0024 0.0316 0.0362
Echinococcus multilocularis protein arginine methyltransferase 0.0015 0.0057 0.0295
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0044 0.0916 0.4728
Giardia lamblia PHD finger protein 15 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.3758 0.4301
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0015 0.0057 0.0629
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0038 0.0744 0.3841
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0044 0.0916 0.4728
Brugia malayi Pre-SET motif family protein 0.0043 0.0908 0.104
Brugia malayi jmjC domain containing protein 0.0044 0.0916 0.1048
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.0744 1
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0015 0.0057 0.0629
Entamoeba histolytica hypothetical protein 0.0024 0.0316 0.5
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0038 0.0744 0.0852

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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