Detailed information for compound 2075926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.375 | Formula: C19H20F3N3O4
  • H donors: 1 H acceptors: 4 LogP: 0.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Cc1ncnc2c1CCN(CC2)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C17H19N3O2.C2HF3O2/c1-12-14-4-6-20(7-5-15(14)19-10-18-12)9-13-2-3-16-17(8-13)22-11-21-16;3-2(4,5)1(6)7/h2-3,8,10H,4-7,9,11H2,1H3;(H,6,7)
  • InChiKey: RKHXVEWCIUAPIM-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
Loa Loa (eye worm) hypothetical protein 0.0274 0.503 0.503
Brugia malayi nuclear receptor NHR-88 0.0245 0.4434 0.4428
Onchocerca volvulus 0.0245 0.4434 0.4428
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0518 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0055 0.0573 0.5
Schistosoma mansoni nuclear hormone receptor 0.0245 0.4434 0.4428
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.001 0.001
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0055 0.0573 0.0564
Brugia malayi Nuclear hormone receptor-like 1 0.0274 0.503 0.5025
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0518 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0245 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0245 0.4434 0.4428
Echinococcus multilocularis transcription factor Dp 1 0.0032 0.0106 0.0096
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0245 0.4434 0.4428
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor E75 0.0245 0.4434 0.4428
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0518 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0274 0.503 0.5025
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Schistosoma mansoni thyroid hormone receptor 0.0518 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0518 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0518 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0028 0.0028 0.0018
Schistosoma mansoni slit 0.0028 0.0028 0.0018
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Schistosoma mansoni zinc finger protein 0.0245 0.4434 0.4428
Brugia malayi nuclear receptor NHR-88 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.503 0.503
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Brugia malayi hypothetical protein 0.0274 0.503 0.5025
Loa Loa (eye worm) nuclear hormone receptor 0.0245 0.4434 0.4434
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0518 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0245 0.4434 0.4428
Schistosoma mansoni nuclear receptor 0.0245 0.4434 0.4428
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0518 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.503 0.503
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0274 0.503 0.503
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0245 0.4434 0.4428
Schistosoma mansoni hypothetical protein 0.0052 0.0511 0.0502
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Brugia malayi nuclear hormone receptor 0.0245 0.4434 0.4428
Echinococcus granulosus ecdysone induced protein 78C 0.0518 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0518 1 1
Brugia malayi laminin alpha chain 0.0028 0.0028 0.0018
Brugia malayi hypothetical protein 0.0274 0.503 0.5025
Schistosoma mansoni cell polarity protein 0.0028 0.0028 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0518 1 1
Brugia malayi ecdysone receptor 0.0245 0.4434 0.4428
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0028 0.0028 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0518 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0518 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0055 0.0573 0.0564
Brugia malayi nuclear receptor RXR 0.0274 0.503 0.5025
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0055 0.0573 0.0573
Brugia malayi hypothetical protein 0.0245 0.4434 0.4428
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0245 0.4434 0.4428
Brugia malayi orphan nuclear receptor NR2E1 0.0245 0.4434 0.4428
Onchocerca volvulus 0.0518 1 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0055 0.0573 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0518 1 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.001 0.001
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0245 0.4434 0.4428
Echinococcus granulosus Nuclear hormone receptor HR96 0.0245 0.4434 0.4428
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0518 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0055 0.0573 0.0564
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0518 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0518 1 1
Loa Loa (eye worm) DR-78 0.0245 0.4434 0.4434
Echinococcus multilocularis slit 2 protein 0.0028 0.0028 0.0018
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.503 0.503
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0245 0.4434 0.4434
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Echinococcus granulosus slit 2 protein 0.0028 0.0028 0.0018
Brugia malayi hypothetical protein 0.0245 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.001
Echinococcus granulosus pikachurin 0.0028 0.0028 0.0018
Brugia malayi nuclear hormone receptor family member odr-7 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor-like 1 0.0518 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0245 0.4434 0.4428
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0518 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0518 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0518 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0245 0.4434 0.4428
Schistosoma mansoni nuclear hormone receptor 0.0245 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Echinococcus granulosus Nuclear hormone receptor HR96 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0518 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0055 0.0573 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0055 0.0573 0.0564
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0518 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0518 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Brugia malayi nuclear hormone receptor 0.0518 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0028 0.0028 0.0018
Loa Loa (eye worm) nuclear receptor NHR-67 0.0245 0.4434 0.4434
Echinococcus multilocularis FTZ F1 alpha 0.0518 1 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0055 0.0573 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0518 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0274 0.503 0.5025
Loa Loa (eye worm) abnormal epIthelia family member 0.0028 0.0028 0.0028
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0055 0.0573 0.5
Schistosoma mansoni nuclear receptor 0.0245 0.4434 0.4428
Echinococcus multilocularis ecdysone induced protein 78C 0.0518 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0518 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Echinococcus granulosus neurogenic locus notch protein 0.0028 0.0028 0.0018
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0518 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0245 0.4434 0.4428
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0245 0.4434 0.4428
Brugia malayi steroid hormone receptor 0.0518 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0518 1 1
Echinococcus granulosus FTZ F1 alpha 0.0518 1 1
Brugia malayi EGF-like domain containing protein 0.0028 0.0028 0.0018
Brugia malayi Steroid receptor seven-up type 2 0.0518 1 1
Brugia malayi nuclear receptor RXR 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0518 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0518 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor E75 0.0245 0.4434 0.4428
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0245 0.4434 0.4428
Echinococcus multilocularis pikachurin 0.0028 0.0028 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0518 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0518 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0028 0.0028 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0518 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0518 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0518 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0245 0.4434 0.4428
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0518 1 1
Brugia malayi conserved hypotetical protein 0.0245 0.4434 0.4428
Echinococcus multilocularis thyroid hormone receptor alpha 0.0518 1 1
Brugia malayi tailless protein 0.0245 0.4434 0.4428
Schistosoma mansoni thyroid hormone receptor 0.0518 1 1
Echinococcus granulosus transcription factor Dp 1 0.0032 0.0106 0.0096
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0274 0.503 0.5025
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Schistosoma mansoni nuclear hormone receptor 0.0518 1 1
Brugia malayi laminin-like protein K08C7.3 precursor 0.0028 0.0028 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0518 1 1
Onchocerca volvulus 0.0245 0.4434 0.4428
Brugia malayi nuclear receptor NHR-67 0.0245 0.4434 0.4428
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0245 0.4434 0.4428
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0274 0.503 0.5025
Schistosoma mansoni coup transcription factor 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.503 0.503
Loa Loa (eye worm) hypothetical protein 0.0245 0.4434 0.4434
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0274 0.503 0.5025

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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