Detailed information for compound 775982

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.354 | Formula: C17H20F3N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)C(=O)Nc1ccc(cc1)OC
  • InChi: 1S/C17H20F3N3O4/c1-3-4-5-12-10-16(26,17(18,19)20)23(22-12)15(25)14(24)21-11-6-8-13(27-2)9-7-11/h6-9,26H,3-5,10H2,1-2H3,(H,21,24)
  • InChiKey: SVFKUSQRJRGCBK-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
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.5442 0.5435
Brugia malayi hypothetical protein 0.0055 0.0867 0.1122
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0726 0.2046
Brugia malayi hypothetical protein 0.0036 0.0248 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0948 0.1247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.075 0.0735
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0948 0.1228
Brugia malayi mbt repeat family protein 0.0051 0.0726 0.0936
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0867 0.5
Brugia malayi hypothetical protein 0.0139 0.3483 0.4573
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0867 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0726 0.071
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0726 0.071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.075 0.0735
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0867 0.5
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0269 0.7597 1
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0867 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0726 0.0955
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0948 0.0933
Brugia malayi mbt repeat family protein 0.0051 0.0726 0.0936
Loa Loa (eye worm) hypothetical protein 0.0139 0.3483 0.4585
Loa Loa (eye worm) hypothetical protein 0.0055 0.0867 0.1141
Onchocerca volvulus Huntingtin homolog 0.0139 0.3483 1
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0726 0.0955
Onchocerca volvulus Huntingtin homolog 0.0139 0.3483 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.5442 0.5435
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0016 0.0022
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.075 0.0735
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0867 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0948 0.0933
Schistosoma mansoni hypothetical protein 0.031 0.8872 0.887
Loa Loa (eye worm) hypothetical protein 0.0269 0.7597 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0726 0.071
Loa Loa (eye worm) hypothetical protein 0.0269 0.7597 1
Echinococcus multilocularis geminin 0.0345 1 1
Leishmania major hypothetical protein, conserved 0.0055 0.0867 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.075 0.0968
Schistosoma mansoni hypothetical protein 0.0345 1 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0016 0.0022
Loa Loa (eye worm) hypothetical protein 0.0028 0.0016 0.0022
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0867 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0726 0.071
Loa Loa (eye worm) MBCTL1 0.0058 0.0948 0.1247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.075 0.0735
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0948 0.0933
Schistosoma mansoni hypothetical protein 0.0345 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.075 0.0987
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.075 0.0735
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0726 0.071
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0867 0.5
Brugia malayi NNMT/PNMT/TEMT family protein 0.0269 0.7597 1
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0726 0.071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.075 0.0735
Onchocerca volvulus 0.0051 0.0726 0.2046
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0948 0.0933
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.075 0.0735
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0726 0.071
Loa Loa (eye worm) hypothetical protein 0.0139 0.3483 0.4585
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0948 0.0933

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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