Detailed information for compound 2077044

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 560.447 | Formula: C20H26F6N6O6
  • H donors: 2 H acceptors: 7 LogP: -0.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cn1ncc(c1)CN1CCOC2(C1)CCCN(C2)c1nnc(o1)C
  • InChi: 1S/C16H24N6O2.2C2HF3O2/c1-13-18-19-15(24-13)22-5-3-4-16(12-22)11-21(6-7-23-16)10-14-8-17-20(2)9-14;2*3-2(4,5)1(6)7/h8-9H,3-7,10-12H2,1-2H3;2*(H,6,7)
  • InChiKey: IDDBYHFKQCFKTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.1152 0.0792
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2775 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0391 0.0612
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.2223 0.1906
Giardia lamblia DINP protein human, muc B family 0.0023 0.2775 1
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Toxoplasma gondii exonuclease III APE 0.0022 0.2223 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.2223 0.3477
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Schistosoma mansoni ap endonuclease 0.0022 0.2223 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.2223 1
Onchocerca volvulus 0.0015 0 0.5
Schistosoma mansoni ap endonuclease 0.0022 0.2223 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.2223 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.2223 0.2223
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0016 0.0391 0.0612
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.2775 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.2223 0.1906
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0045 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.2223 0.7682
Onchocerca volvulus 0.0015 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.2223 0.5
Onchocerca volvulus 0.0015 0 0.5
Echinococcus multilocularis dna polymerase kappa 0.0045 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2775 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.7616 0.7519
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.6393 0.6246
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.0391 0.1761
Loa Loa (eye worm) hypothetical protein 0.0034 0.6393 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.1152 0.0792
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.0391 0.0391
Onchocerca volvulus 0.0015 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.1152 0.0792
Trypanosoma brucei DNA polymerase IV, putative 0.0045 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.0391 0.1761
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.2223 0.5
Trypanosoma brucei unspecified product 0.0038 0.7616 0.7519
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0045 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 1 1
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.0391 0.0612
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.2223 0.3477
Echinococcus granulosus dna polymerase eta 0.0016 0.0391 0.0391
Brugia malayi polk-prov protein 0.0034 0.6393 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.6393 0.6246
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.2223 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.2223 0.7682
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.2223 0.2223
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2775 0.2481
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.2223 0.1906
Onchocerca volvulus Neuropeptide F receptor homolog 0.0015 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0391 0.0612
Echinococcus multilocularis dna polymerase eta 0.0016 0.0391 0.0391
Schistosoma mansoni DNA polymerase eta 0.0016 0.0391 0.1761

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.