Detailed information for compound 1755740

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.511 | Formula: C27H25FN4O2
  • H donors: 1 H acceptors: 3 LogP: 4.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(C)nn(c1C)c1ccccc1)NCC1Cc2c(O1)c(cc(c2)F)c1cccnc1
  • InChi: 1S/C27H25FN4O2/c1-17-24(18(2)32(31-17)22-8-4-3-5-9-22)14-26(33)30-16-23-12-20-11-21(28)13-25(27(20)34-23)19-7-6-10-29-15-19/h3-11,13,15,23H,12,14,16H2,1-2H3,(H,30,33)
  • InChiKey: FXKDKHPWLPWTIK-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
Echinococcus granulosus tyrosine protein kinase Lyn 0.0019 0.0024 0.0024
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0019 0.0024 0.014
Schistosoma mansoni nck2/grb4 0.0016 0.0015 0.0086
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0019 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Echinococcus multilocularis growth factor receptor bound protein 2 0.0016 0.0015 0.0015
Schistosoma mansoni tyrosine kinase 0.0019 0.0024 0.014
Loa Loa (eye worm) hypothetical protein 0.0016 0.0015 0.605
Echinococcus granulosus tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Echinococcus granulosus tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Schistosoma mansoni adapter molecule crk 0.0016 0.0015 0.0086
Echinococcus granulosus tyrosine protein kinase Src42A 0.0019 0.0024 0.0024
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0015 0.605
Brugia malayi Tyrosine-protein kinase abl-1 0.0019 0.0024 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0019 0.0024 0.0024
Schistosoma mansoni tyrosine kinase 0.0019 0.0024 0.014
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0459 0.1719 0.1719
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0019 0.0024 0.0024
Schistosoma mansoni tyrosine kinase 0.0019 0.0024 0.014
Entamoeba histolytica hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) SRC-1 0.0019 0.0024 1
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0015 0.0086
Echinococcus granulosus c src tyrosine kinase 0.0019 0.0024 0.0024
Echinococcus multilocularis c src tyrosine kinase 0.0019 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0015 0.0086
Schistosoma mansoni tyrosine kinase 0.0451 0.1687 1
Echinococcus granulosus Na+ dependent nucleoside transporter 0.261 1 1
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.261 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0459 0.1719 0.1719
Brugia malayi SRC-1 0.0019 0.0024 1
Echinococcus multilocularis solute carrier family 28 0.261 1 1
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0015 0.605
Echinococcus multilocularis NCK adaptor protein 0.0016 0.0015 0.0015
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.261 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0019 0.0024 0.0024
Schistosoma mansoni vav2 0.0013 0.0001 0.0005
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0019 0.0024 0.0024
Schistosoma mansoni tyrosine kinase 0.0019 0.0024 0.014
Echinococcus granulosus NCK adaptor protein 0.0016 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0019 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0019 0.0024 0.0024
Echinococcus granulosus growth factor receptor bound protein 2 0.0016 0.0015 0.0015
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0016 0.0015 0.0086
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.1702 0.6505 0.6505
Echinococcus granulosus tyrosine protein kinase Src64B 0.0019 0.0024 0.0024
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0016 0.0015 0.605
Echinococcus multilocularis tyrosine protein kinase Abl 0.0019 0.0024 0.0024
Echinococcus granulosus tyrosine protein kinase Fyn 0.0019 0.0024 0.0024
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0016 0.0015 0.605
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0019 0.0024 0.0024
Brugia malayi Sex muscle abnormal protein 5 0.0016 0.0015 0.605

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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