Detailed information for compound 1489810

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.441 | Formula: C22H24FN3O5
  • H donors: 3 H acceptors: 5 LogP: 3.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H](n1cc(C(=O)O)c(=O)c2c1nc(OC)c(c2)NCc1cccc(c1)F)C(C)C
  • InChi: 1S/C22H24FN3O5/c1-12(2)18(11-27)26-10-16(22(29)30)19(28)15-8-17(21(31-3)25-20(15)26)24-9-13-5-4-6-14(23)7-13/h4-8,10,12,18,24,27H,9,11H2,1-3H3,(H,29,30)/t18-/m1/s1
  • InChiKey: YDGTZLVSWWOVLP-GOSISDBHSA-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 acetylcholinesterase 0.0339 0.4813 1
Echinococcus multilocularis acetylcholinesterase 0.0339 0.4813 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1007 0.1007
Echinococcus granulosus acetylcholinesterase 0.0339 0.4813 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0339 0.4813 0.7076
Loa Loa (eye worm) hypothetical protein 0.0296 0.3986 0.3986
Loa Loa (eye worm) carboxylesterase 0.0339 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0131 0.0789 0.0789
Brugia malayi Carboxylesterase family protein 0.0339 0.4813 0.7076
Echinococcus multilocularis integrin alpha ps 0.0273 0.3545 0.7365
Echinococcus multilocularis integrin alpha ps 0.0131 0.0789 0.1638
Echinococcus multilocularis carboxylesterase 5A 0.0339 0.4813 1
Echinococcus granulosus integrin alpha ps 0.0273 0.3545 0.7365
Schistosoma mansoni hypothetical protein 0.0131 0.0789 0.1159
Schistosoma mansoni integrin alpha-ps 0.0142 0.1007 0.1481
Loa Loa (eye worm) hypothetical protein 0.031 0.4265 0.4265
Schistosoma mansoni integrin alpha 0.0441 0.6803 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0168 0.1508 0.1508
Echinococcus granulosus acetylcholinesterase 0.0339 0.4813 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0339 0.4813 0.4813
Echinococcus multilocularis integrin alpha 3 0.0299 0.4046 0.8406
Echinococcus granulosus carboxylesterase 5A 0.0339 0.4813 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.4813 0.4813
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0296 0.3986 0.586
Echinococcus granulosus integrin alpha 3 0.0299 0.4046 0.8406
Brugia malayi Integrin alpha pat-2 precursor 0.0441 0.6803 1
Echinococcus granulosus integrin alpha ps 0.0131 0.0789 0.1638
Echinococcus multilocularis integrin alpha ps 0.0273 0.3545 0.7365
Schistosoma mansoni integrin alpha-ps 0.0273 0.3545 0.5211
Brugia malayi Carboxylesterase family protein 0.0339 0.4813 0.7076

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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