Detailed information for compound 1621679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.287 | Formula: C15H15F3N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNc1ccc(cc1)Cn1cc(ccc1=O)C(F)(F)F
  • InChi: 1S/C15H15F3N2O2/c16-15(17,18)12-3-6-14(22)20(10-12)9-11-1-4-13(5-2-11)19-7-8-21/h1-6,10,19,21H,7-9H2
  • InChiKey: MSQBSVGGJQOWLG-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 translation initiation factor 4E 0.0323 0.3116 0.5291
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0039 0.002 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0072 0.0381 0.0381
Echinococcus multilocularis tyrosine protein kinase Abl 0.0397 0.3917 0.3917
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0072 0.0381 0.0381
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0039 0.002 0.0063
Brugia malayi protein-tyrosine kinase 0.0054 0.0193 0.0296
Entamoeba histolytica translation initiation factor 4e, putative 0.0039 0.002 0.0063
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0072 0.0381 0.0381
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0323 0.3116 0.3152
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0049 0.0139 0.0139
Leishmania major eukaryotic translation initiation factor-like protein 0.0323 0.3116 1
Schistosoma mansoni tyrosine kinase 0.0938 0.9807 1
Echinococcus granulosus c src tyrosine kinase 0.004 0.0035 0.0035
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0054 0.0193 0.0193
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.002 0.5
Giardia lamblia Hypothetical protein 0.0039 0.002 0.5
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0039 0.002 0.002
Schistosoma mansoni tyrosine kinase 0.0072 0.0381 0.0354
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Entamoeba histolytica hypothetical protein 0.0039 0.002 0.0063
Loa Loa (eye worm) SRC-1 0.0072 0.0381 0.0381
Echinococcus granulosus tyrosine kinase 0.0054 0.0193 0.0193
Echinococcus multilocularis c src tyrosine kinase 0.004 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0039 0.002 0.0063
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Giardia lamblia Hypothetical protein 0.0039 0.002 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0039 0.002 0.0063
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0039 0.002 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0049 0.0139 0.0139
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Giardia lamblia hypothetical protein 0.0039 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0362 0.3536 0.3536
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0323 0.3116 1
Giardia lamblia Translation elongation factor 0.0039 0.002 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0054 0.0193 0.0193
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0039 0.002 0.0063
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0323 0.3116 1
Loa Loa (eye worm) translation initiation factor 4E 0.0323 0.3116 0.3116
Loa Loa (eye worm) TK protein kinase 0.0054 0.0193 0.0193
Echinococcus granulosus tyrosine protein kinase Btk29A 0.004 0.0035 0.0035
Echinococcus granulosus tyrosine protein kinase Src42A 0.0072 0.0381 0.0381
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0072 0.0381 0.0381
Brugia malayi SRC-1 0.0072 0.0381 0.0617
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0072 0.0381 0.0381
Brugia malayi Tyrosine-protein kinase abl-1 0.0576 0.5871 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.004 0.0035 0.0035
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0039 0.002 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0072 0.0381 0.0381
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Schistosoma mansoni tyrosine kinase 0.0072 0.0381 0.0354
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0072 0.0381 0.0381
Plasmodium vivax translation initiation factor 4E, putative 0.0039 0.002 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0323 0.3116 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0323 0.3116 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0381 0.0381
Echinococcus multilocularis tyrosine protein kinase Blk 0.0054 0.0193 0.0193
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0323 0.3116 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0072 0.0381 0.0381
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0323 0.3116 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0072 0.0381 0.0381
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0039 0.002 0.002
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0039 0.002 0.0063
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0039 0.002 0.0063
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0193 0.0193
Echinococcus granulosus tyrosine protein kinase Src64B 0.0072 0.0381 0.0381
Brugia malayi Tyrosine-protein kinase abl-1 0.0397 0.3917 0.6661
Echinococcus granulosus tyrosine protein kinase Blk 0.0054 0.0193 0.0193
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0039 0.002 0.002
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0323 0.3116 0.3116
Leishmania major eukaryotic translation initiation factor-like 0.0323 0.3116 1
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0323 0.3116 0.3116

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.62 mM Anti-fibrosis activity in mouse NIH/3T3 cells assessed as inhibition of proliferation after 72 hrs by MTT assay ChEMBL. 22342629

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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