Detailed information for compound 2078976

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.488 | Formula: C19H26F3N3O4S
  • H donors: 1 H acceptors: 4 LogP: 0.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.O=C1COC2(C(N1CC1CC1)C)CCN(CC2)Cc1nccs1
  • InChi: 1S/C17H25N3O2S.C2HF3O2/c1-13-17(22-12-16(21)20(13)10-14-2-3-14)4-7-19(8-5-17)11-15-18-6-9-23-15;3-2(4,5)1(6)7/h6,9,13-14H,2-5,7-8,10-12H2,1H3;(H,6,7)
  • InChiKey: GKBFJFAJTWJTKK-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
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0494 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0494 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0052 0.0573 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0494 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0494 1 1
Brugia malayi laminin alpha chain 0.008 0.1175 0.1166
Echinococcus granulosus ecdysone induced protein 78C 0.0494 1 1
Echinococcus multilocularis slit 2 protein 0.008 0.1175 0.1166
Schistosoma mansoni RAR-like nuclear receptor 0.0494 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0233 0.4434 0.4428
Echinococcus granulosus Nuclear hormone receptor HR96 0.0233 0.4434 0.4428
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0052 0.0573 0.0564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0494 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0233 0.4434 0.4428
Brugia malayi nuclear receptor RXR 0.0261 0.503 0.5025
Echinococcus multilocularis transcription factor Dp 1 0.003 0.0106 0.0096
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0261 0.503 0.5025
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1175 0.1175
Echinococcus granulosus neurogenic locus notch protein 0.008 0.1175 0.1166
Schistosoma mansoni thyroid hormone receptor 0.0494 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0261 0.503 0.5025
Loa Loa (eye worm) hypothetical protein 0.0261 0.503 0.503
Schistosoma mansoni laminin gamma-3 chain 0.008 0.1175 0.1166
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Brugia malayi nuclear receptor NHR-67 0.0233 0.4434 0.4428
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.008 0.1175 0.1166
Brugia malayi Nuclear hormone receptor E75 0.0233 0.4434 0.4428
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0494 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0494 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Brugia malayi tailless protein 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Loa Loa (eye worm) hypothetical protein 0.0261 0.503 0.503
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.008 0.1175 0.1166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Brugia malayi Nuclear hormone receptor E75 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0261 0.503 0.503
Brugia malayi nuclear receptor NHR-88 0.0494 1 1
Brugia malayi hypothetical protein 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Onchocerca volvulus 0.0233 0.4434 0.4428
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0494 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0233 0.4434 0.4428
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0052 0.0573 0.0564
Brugia malayi nuclear hormone receptor 0.0494 1 1
Schistosoma mansoni zinc finger protein 0.0233 0.4434 0.4428
Echinococcus granulosus thyroid hormone receptor alpha 0.0233 0.4434 0.4428
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0233 0.4434 0.4428
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0494 1 1
Brugia malayi nuclear receptor NHR-88 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.008 0.1175 0.1175
Echinococcus granulosus Nuclear hormone receptor HR96 0.0233 0.4434 0.4428
Schistosoma mansoni retinoic acid receptor RXR 0.0494 1 1
Brugia malayi steroid hormone receptor 0.0494 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0233 0.4434 0.4434
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0494 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0494 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0233 0.4434 0.4428
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0494 1 1
Schistosoma mansoni nuclear hormone receptor 0.0233 0.4434 0.4428
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0052 0.0573 0.5
Brugia malayi hypothetical protein 0.0261 0.503 0.5025
Loa Loa (eye worm) steroid hormone receptor 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0052 0.0573 0.0564
Echinococcus granulosus FTZ F1 alpha 0.0494 1 1
Brugia malayi laminin-like protein K08C7.3 precursor 0.008 0.1175 0.1166
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0233 0.4434 0.4428
Schistosoma mansoni steroid hormone receptor ad4bp 0.0494 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.503 0.503
Echinococcus granulosus nuclear receptor nhr 48 0.0233 0.4434 0.4428
Brugia malayi Nuclear hormone receptor-like 1 0.0261 0.503 0.5025
Echinococcus granulosus transcription factor Dp 1 0.003 0.0106 0.0096
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0494 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0233 0.4434 0.4434
Loa Loa (eye worm) hypothetical protein 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0494 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0494 1 1
Brugia malayi nuclear receptor RXR 0.0233 0.4434 0.4428
Loa Loa (eye worm) abnormal epIthelia family member 0.008 0.1175 0.1175
Brugia malayi Nuclear hormone receptor-like 1 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0494 1 1
Brugia malayi nuclear hormone receptor 0.0233 0.4434 0.4428
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0494 1 1
Schistosoma mansoni nuclear hormone receptor 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0261 0.503 0.503
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0233 0.4434 0.4428
Brugia malayi Nuclear hormone receptor-like 1 0.0261 0.503 0.5025
Schistosoma mansoni cell polarity protein 0.008 0.1175 0.1166
Brugia malayi ecdysone receptor 0.0233 0.4434 0.4428
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0494 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0261 0.503 0.503
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0052 0.0573 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0494 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0494 1 1
Echinococcus granulosus pikachurin 0.008 0.1175 0.1166
Echinococcus multilocularis nuclear receptor nhr 48 0.0233 0.4434 0.4428
Brugia malayi hypothetical protein 0.0233 0.4434 0.4428
Brugia malayi hypothetical protein 0.0261 0.503 0.5025
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0052 0.0573 0.0573
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0494 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0494 1 1
Echinococcus granulosus slit 2 protein 0.008 0.1175 0.1166
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0494 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0233 0.4434 0.4428
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0233 0.4434 0.4428
Brugia malayi Steroid receptor seven-up type 2 0.0494 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0494 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0261 0.503 0.5025
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Schistosoma mansoni hypothetical protein 0.0049 0.0511 0.0502
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0494 1 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Schistosoma mansoni coup transcription factor 0.0494 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0233 0.4434 0.4434
Onchocerca volvulus 0.0494 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.008 0.1175 0.1166
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0494 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0052 0.0573 0.5
Onchocerca volvulus 0.0233 0.4434 0.4428
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0494 1 1
Schistosoma mansoni nuclear hormone receptor 0.0494 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0494 1 1
Schistosoma mansoni nuclear receptor 0.0233 0.4434 0.4428
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0494 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0233 0.4434 0.4428
Brugia malayi conserved hypotetical protein 0.0233 0.4434 0.4428
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0233 0.4434 0.4428
Echinococcus multilocularis ecdysone induced protein 78C 0.0494 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.001 0.001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0233 0.4434 0.4428
Schistosoma mansoni nuclear receptor 0.0233 0.4434 0.4428
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0233 0.4434 0.4428
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0052 0.0573 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0494 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0233 0.4434 0.4428
Schistosoma mansoni slit 0.008 0.1175 0.1166
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0233 0.4434 0.4428
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0261 0.503 0.5025
Brugia malayi EGF-like domain containing protein 0.008 0.1175 0.1166
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.001 0.001
Schistosoma mansoni thyroid hormone receptor 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0494 1 1
Loa Loa (eye worm) DR-78 0.0233 0.4434 0.4434
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0494 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1175 0.1175
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.4434 0.4434
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0494 1 1
Echinococcus multilocularis pikachurin 0.008 0.1175 0.1166
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0494 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0052 0.0573 0.0564

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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