Detailed information for compound 2077022

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 519.435 | Formula: C20H27F6N3O6
  • H donors: 2 H acceptors: 5 LogP: -1.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ncccc1CN1CCC2(CC1)COCCN2C
  • InChi: 1S/C16H25N3O2.2C2HF3O2/c1-18-10-11-21-13-16(18)5-8-19(9-6-16)12-14-4-3-7-17-15(14)20-2;2*3-2(4,5)1(6)7/h3-4,7H,5-6,8-13H2,1-2H3;2*(H,6,7)
  • InChiKey: OKLLTPBPZIQISZ-UHFFFAOYSA-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
Leishmania major proteasome beta 5 subunit, putative 0.0185 0.8863 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0099 0.3981 0.3981
Trypanosoma brucei proteasome beta 6 subunit 0.0099 0.3981 0.4492
Brugia malayi Proteasome A-type and B-type family protein 0.0185 0.8863 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0063 0.1954 0.2205
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0099 0.3981 0.4492
Leishmania major proteasome beta 2 subunit, putative 0.0063 0.1954 0.2205
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0063 0.1954 0.2205
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0029 0 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0185 0.8863 1
Schistosoma mansoni hypothetical protein 0.0062 0.1926 0.1926
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0099 0.3981 0.4492
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0063 0.1954 0.1954
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0099 0.3981 0.4492
Toxoplasma gondii proteasome subunit beta type, putative 0.0185 0.8863 1
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0063 0.1954 0.2205
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0185 0.8863 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0063 0.1954 0.2205
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0063 0.1954 0.2205
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0063 0.1954 0.1954
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0099 0.3981 0.4492
Loa Loa (eye worm) proteasome subunit beta type 1 0.0099 0.3981 0.4492
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0063 0.1954 0.1954
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0063 0.1954 0.1954
Giardia lamblia Proteasome subunit beta type 2 0.0063 0.1954 0.2205
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0185 0.8863 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0185 0.8863 1
Mycobacterium ulcerans proteasome PrcB 0.0185 0.8863 1
Echinococcus granulosus proteasome prosome macropain 0.0185 0.8863 0.8863
Onchocerca volvulus Notchless protein homolog 0.0029 0 0.5
Brugia malayi proteasome subunit beta type 1 0.0099 0.3981 0.4492
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0099 0.3981 0.3981
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0185 0.8863 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0185 0.8863 1
Trypanosoma cruzi 20S proteasome subunit 0.0063 0.1954 0.2205
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0099 0.3981 0.3981
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0185 0.8863 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0063 0.1954 0.2205
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0099 0.3981 0.4492
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0099 0.3981 0.4492
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0185 0.8863 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0185 0.8863 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0185 0.8863 0.8863
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0063 0.1954 0.2205
Plasmodium vivax proteasome subunit beta type-1, putative 0.0099 0.3981 0.4492
Brugia malayi proteasome subunit beta type 2 0.0063 0.1954 0.2205
Loa Loa (eye worm) proteasome subunit beta type 2 0.0063 0.1954 0.2205
Giardia lamblia Proteasome subunit beta type 1 0.0099 0.3981 0.4492
Plasmodium vivax proteasome subunit beta type-2, putative 0.0063 0.1954 0.2205
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0099 0.3981 0.4492
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0185 0.8863 1
Plasmodium falciparum proteasome subunit beta type-5 0.0185 0.8863 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0185 0.8863 0.8863
Schistosoma mansoni hypothetical protein 0.0205 1 1

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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