Detailed information for compound 1046896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.373 | Formula: C20H18FN3O4
  • H donors: 0 H acceptors: 4 LogP: 2.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN1CCN(CC1=O)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C20H18FN3O4/c21-17-8-5-15(6-9-17)13-22-11-12-23(14-20(22)26)19(25)10-7-16-3-1-2-4-18(16)24(27)28/h1-10H,11-14H2/b10-7+
  • InChiKey: AHNASKJLECZFDS-JXMROGBWSA-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 histone lysine N methyltransferase SETMAR 0.0035 0.0637 0.0916
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0245 0.87 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3321 0.4779
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0637 0.0916
Loa Loa (eye worm) hypothetical protein 0.0159 0.538 0.6184
Trichomonas vaginalis set domain proteins, putative 0.0279 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3321 0.4779
Echinococcus granulosus geminin 0.02 0.6951 1
Schistosoma mansoni hypothetical protein 0.02 0.6951 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3321 0.4779
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3321 0.4779
Onchocerca volvulus Bile acid receptor homolog 0.0159 0.538 0.5066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0637 0.5
Onchocerca volvulus Huntingtin homolog 0.0146 0.4894 0.4547
Brugia malayi ecdysteroid receptor 0.0159 0.538 0.6184
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0587 0.0845
Loa Loa (eye worm) hypothetical protein 0.0146 0.4894 0.5626
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0637 0.0916
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3321 0.4779
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0828 0.0952
Loa Loa (eye worm) hypothetical protein 0.0059 0.1541 0.1772
Brugia malayi Pre-SET motif family protein 0.0035 0.0637 0.0732
Loa Loa (eye worm) hypothetical protein 0.0146 0.4894 0.5626
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0637 0.0916
Brugia malayi hypothetical protein 0.0146 0.4894 0.5626
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3321 0.4779
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.1541 0.1772
Loa Loa (eye worm) hypothetical protein 0.0035 0.0637 0.0732
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.3321 0.3818
Schistosoma mansoni hypothetical protein 0.02 0.6951 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.1541 0.1772
Onchocerca volvulus Huntingtin homolog 0.0146 0.4894 0.4547
Schistosoma mansoni hypothetical protein 0.004 0.0828 0.1191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3321 0.4779
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Echinococcus multilocularis geminin 0.02 0.6951 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.3321 0.3818
Plasmodium vivax SET domain protein, putative 0.0035 0.0637 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0828 0.0952
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.1541 0.1772
Brugia malayi Pre-SET motif family protein 0.0245 0.87 1

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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