Detailed information for compound 2078015

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.411 | Formula: C21H22F3N3O6
  • H donors: 1 H acceptors: 5 LogP: 1.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.O=C1COC2(CN1Cc1ccccn1)CCN(CC2)C(=O)c1cocc1
  • InChi: 1S/C19H21N3O4.C2HF3O2/c23-17-13-26-19(14-22(17)11-16-3-1-2-7-20-16)5-8-21(9-6-19)18(24)15-4-10-25-12-15;3-2(4,5)1(6)7/h1-4,7,10,12H,5-6,8-9,11,13-14H2;(H,6,7)
  • InChiKey: GDXVWJOEIZHKRJ-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
Schistosoma mansoni phosphoglucomutase 0.0043 0.0564 0.0564
Echinococcus granulosus Ribosomal protein L34a 0.0047 0.0638 0.0973
Echinococcus multilocularis thymidylate kinase 0.0075 0.1327 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.3224 1
Schistosoma mansoni thymidylate kinase 0.0075 0.1327 0.1327
Trypanosoma brucei hypothetical protein, conserved 0.0053 0.0801 0.0727
Trypanosoma cruzi thymidylate kinase, putative 0.0075 0.1327 0.236
Trypanosoma cruzi thymidine kinase, putative 0.0243 0.5363 1
Mycobacterium ulcerans thymidylate kinase 0.0075 0.1327 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0075 0.1327 0.1257
Schistosoma mansoni phosphoglucomutase 0.0043 0.0564 0.0564
Echinococcus multilocularis Metazoa galactosyltransferase 0.0053 0.0801 0.311
Trypanosoma brucei RNA helicase, putative 0.0436 1 1
Brugia malayi thymidylate kinase 0.0075 0.1327 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0075 0.1327 0.5
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0053 0.0801 0.0727
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0053 0.08 0.3105
Giardia lamblia DNA polymerase alpha subunit A 0.0045 0.0604 0.0085
Brugia malayi RNase H family protein 0.0043 0.0564 0.0063
Echinococcus multilocularis Metazoa galactosyltransferase 0.0063 0.1036 0.6188
Trichomonas vaginalis thymidine kinase, putative 0.0243 0.5363 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0053 0.08 0.3105
Trypanosoma brucei thymidylate kinase, putative 0.0075 0.1327 0.1257
Treponema pallidum thymidylate kinase (tmk) 0.0075 0.1327 1
Brugia malayi RNase H family protein 0.0043 0.0564 0.0063
Trypanosoma brucei ingi protein (ORF1) 0.0053 0.0801 0.0727
Plasmodium falciparum thymidylate kinase 0.0075 0.1327 0.5
Giardia lamblia CDC8 0.0075 0.1327 0.159
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0075 0.1327 1
Toxoplasma gondii thymidylate kinase 0.0075 0.1327 1
Trichomonas vaginalis thymidylate kinase, putative 0.0075 0.1327 0.236
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0229 0.0284
Leishmania major thymidine kinase, putative 0.0243 0.5363 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.003 0.0229 0.0284
Trypanosoma brucei ribonuclease H1 0.0043 0.0564 0.0488
Trypanosoma cruzi ribonuclease H1, putative 0.0043 0.0564 0.0916
Schistosoma mansoni beta-14-galactosyltransferase 0.0063 0.1036 0.1036
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0053 0.08 0.08
Plasmodium vivax thymidylate kinase, putative 0.0075 0.1327 1
Brugia malayi RNase H family protein 0.0043 0.0564 0.0063
Loa Loa (eye worm) hypothetical protein 0.0073 0.128 0.839
Onchocerca volvulus Putative thymidylate kinase 0.0075 0.1327 1
Trypanosoma cruzi ribonuclease H1, putative 0.0043 0.0564 0.0916
Trypanosoma brucei ingi protein (ORF1) 0.0053 0.0801 0.0727
Leishmania major hypothetical protein, conserved 0.003 0.0229 0.0284
Schistosoma mansoni hypothetical protein 0.0075 0.1327 0.1327
Trypanosoma cruzi thymidine kinase, putative 0.0243 0.5363 1
Giardia lamblia Thymidine kinase 0.0243 0.5363 1
Trichomonas vaginalis ribonuclease H1, putative 0.0043 0.0564 0.0916
Chlamydia trachomatis thymidylate kinase 0.0075 0.1327 0.5
Entamoeba histolytica thymidine kinase, putative 0.0243 0.5363 1
Echinococcus multilocularis Ribosomal protein L34a 0.0047 0.0638 0.0973
Echinococcus granulosus Metazoa galactosyltransferase 0.0063 0.1036 0.6188
Trichomonas vaginalis thymidylate kinase, putative 0.0075 0.1327 0.236
Leishmania major ribonuclease H1, putative 0.0043 0.0564 0.0916
Brugia malayi Galactosyltransferase family protein 0.0063 0.1036 0.6211
Trypanosoma brucei unspecified product 0.0053 0.0801 0.0727
Schistosoma mansoni beta-14-galactosyltransferase 0.0063 0.1036 0.1036
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0073 0.128 0.9386
Trichomonas vaginalis thymidine kinase, putative 0.0243 0.5363 1
Schistosoma mansoni phosphoglucomutase 0.0043 0.0564 0.0564
Trichomonas vaginalis thymidine kinase, putative 0.0243 0.5363 1
Echinococcus granulosus thymidylate kinase 0.0075 0.1327 1
Trypanosoma cruzi thymidylate kinase, putative 0.0075 0.1327 0.236
Trypanosoma brucei thymidine kinase 0.0243 0.5363 0.5326
Loa Loa (eye worm) thymidylate kinase 0.0075 0.1327 1
Schistosoma mansoni thymidylate kinase 0.0075 0.1327 0.1327
Leishmania major thymidylate kinase-like protein 0.0075 0.1327 0.236
Toxoplasma gondii ribonuclease HI protein 0.0043 0.0564 0.0063

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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