Detailed information for compound 1580836

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.053 | Formula: C29H35ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 5.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)c1cccc(c1)C)COc1ccccc1C(=O)CCc1ccccc1.Cl
  • InChi: 1S/C29H34N2O3.ClH/c1-23-8-7-11-25(20-23)31-18-16-30(17-19-31)21-26(32)22-34-29-13-6-5-12-27(29)28(33)15-14-24-9-3-2-4-10-24;/h2-13,20,26,32H,14-19,21-22H2,1H3;1H
  • InChiKey: LVFXFUONUGVTHW-UHFFFAOYSA-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
Loa Loa (eye worm) TK/EGFR protein kinase 0.159 0.4835 0.4588
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1858 0.5658 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1858 0.5658 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1858 0.5658 1
Schistosoma mansoni tyrosine kinase 0.0855 0.2577 0.533
Echinococcus multilocularis epidermal growth factor receptor 0.0855 0.2577 0.3387
Brugia malayi Furin-like cysteine rich region family protein 0.159 0.4835 0.4588
Schistosoma mansoni tyrosine kinase 0.0855 0.2577 0.533
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0341 0.0999 0.0568
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0341 0.0999 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0341 0.0999 0.0568
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1858 0.5658 1
Onchocerca volvulus 0.0341 0.0999 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0509 0.1515 0.1107
Echinococcus multilocularis epidermal growth factor receptor 0.159 0.4835 0.8234
Onchocerca volvulus 0.0341 0.0999 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0341 0.0999 0.0568
Schistosoma mansoni tyrosine kinase 0.0845 0.2547 0.5267
Schistosoma mansoni choline o-acyltransferase 0.0341 0.0999 0.2066
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0341 0.0999 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0341 0.0999 0.0568
Loa Loa (eye worm) hypothetical protein 0.3272 1 1
Schistosoma mansoni choline o-acyltransferase 0.0341 0.0999 0.2066
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1858 0.5658 1
Onchocerca volvulus 0.0341 0.0999 1
Echinococcus multilocularis insulin receptor 0.0509 0.1515 0.1107
Loa Loa (eye worm) TK/INSR protein kinase 0.0509 0.1515 0.1108
Loa Loa (eye worm) hypothetical protein 0.0341 0.0999 0.0568
Brugia malayi Choline O-acetyltransferase 0.0341 0.0999 0.0568
Brugia malayi Protein kinase domain containing protein 0.0509 0.1515 0.1108
Echinococcus granulosus insulin receptor 0.0509 0.1515 0.1107
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0509 0.1515 0.1107
Brugia malayi Choline O-acetyltransferase 0.0341 0.0999 0.0568
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0341 0.0999 0.5
Echinococcus multilocularis 0.0492 0.1463 0.0996
Schistosoma mansoni tyrosine kinase 0.159 0.4835 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0341 0.0999 0.0568
Schistosoma mansoni tyrosine kinase 0.0845 0.2547 0.5267
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0341 0.0999 0.5
Schistosoma mansoni tyrosine kinase 0.0845 0.2547 0.5267
Schistosoma mansoni tyrosine kinase 0.0509 0.1515 0.3133
Echinococcus granulosus epidermal growth factor receptor 0.159 0.4835 0.8234
Echinococcus granulosus epidermal growth factor receptor 0.0855 0.2577 0.3387
Schistosoma mansoni tyrosine kinase 0.0509 0.1515 0.3133
Trypanosoma brucei hypothetical protein, conserved 0.0341 0.0999 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0855 0.2577 0.3387
Onchocerca volvulus Tyrosine kinase homolog 0.0154 0.0426 0.0619
Onchocerca volvulus 0.0341 0.0999 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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