Detailed information for compound 1049299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.363 | Formula: C19H18FN3O3
  • H donors: 0 H acceptors: 2 LogP: 2.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1occ(n1)CN1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C19H18FN3O3/c20-15-4-1-3-14(11-15)18-21-16(13-26-18)12-22-6-8-23(9-7-22)19(24)17-5-2-10-25-17/h1-5,10-11,13H,6-9,12H2
  • InChiKey: REEPWVSVFJAFMA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0862 0.3419
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.077 0.2714
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0862 0.6315
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.3452 0.3452
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0048 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.077 0.2714
Loa Loa (eye worm) hypothetical protein 0.0041 0.077 0.4488
Echinococcus granulosus chromobox protein 1 0.0073 0.1716 0.1716
Schistosoma mansoni chromobox protein 0.0073 0.1716 0.3785
Schistosoma mansoni thyroid hormone receptor 0.0142 0.3764 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.3452 0.3452
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.1716 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 0.3764 0.3764
Brugia malayi intermediate filament protein 0.0031 0.0468 0.2517
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0509 0.2969
Schistosoma mansoni chromobox protein 0.0073 0.1716 0.3785
Brugia malayi Heterochromatin protein 1 0.0073 0.1716 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0468 0.2517
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.1091 0.1891
Schistosoma mansoni hypothetical protein 0.0132 0.3452 0.9053
Echinococcus multilocularis lamin 0.0031 0.0468 0.0468
Echinococcus multilocularis lamin dm0 0.0031 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.003 0.0451 0.263
Echinococcus granulosus chromobox protein 1 0.0073 0.1716 0.1716
Echinococcus granulosus lamin 0.0031 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0031 0.0468 0.2727
Brugia malayi chromobox protein homolog 3 0.0041 0.077 0.4329
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.077 0.4846
Onchocerca volvulus 0.0052 0.1091 1
Onchocerca volvulus 0.0032 0.0509 0.0666
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0468 0.2727
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0862 0.3419
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0468 0.2727
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1716 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.1716 0.1716
Echinococcus multilocularis musashi 0.0031 0.0468 0.0468
Echinococcus granulosus intermediate filament protein 0.0031 0.0468 0.0468
Echinococcus multilocularis tumor protein p63 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1091 0.6361
Echinococcus granulosus lamin dm0 0.0031 0.0468 0.0468
Schistosoma mansoni thyroid hormone receptor 0.0142 0.3764 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.1716 0.1716

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 9 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.