Detailed information for compound 1180103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.453 | Formula: C24H24NO+
  • H donors: 0 H acceptors: 1 LogP: 5.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)cccc2)C[N+]12CCCc3c2c(CCC1)ccc3
  • InChi: 1S/C24H24NO/c26-23(22-13-12-18-6-1-2-7-21(18)16-22)17-25-14-4-10-19-8-3-9-20(24(19)25)11-5-15-25/h1-3,6-9,12-13,16H,4-5,10-11,14-15,17H2/q+1
  • InChiKey: JJYFWMMGICNREN-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) choline/Carnitine O-acyltransferase 0.0642 0.0916 0.0916
Echinococcus granulosus choline O acetyltransferase 0.0565 0.0797 0.1454
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2977 0.454 1
Echinococcus multilocularis choline O acetyltransferase 0.0565 0.0797 0.1454
Loa Loa (eye worm) choline O-acetyltransferase 0.0565 0.0797 0.0797
Onchocerca volvulus 0.0565 0.0797 0.5
Onchocerca volvulus 0.0565 0.0797 0.5
Leishmania major carnitine palmitoyltransferase-like protein 0.0642 0.0916 0.0319
Brugia malayi Choline O-acetyltransferase 0.0565 0.0797 0.0797
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0642 0.0916 0.0319
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.2977 0.454 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.016 0.016
Schistosoma mansoni choline o-acyltransferase 0.0565 0.0797 0.5
Schistosoma mansoni choline o-acyltransferase 0.0565 0.0797 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0565 0.0797 0.0797
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.2977 0.454 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0642 0.0916 0.1726
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2977 0.454 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.2977 0.454 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.0797 0.0797
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0642 0.0916 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0642 0.0916 0.1726
Onchocerca volvulus 0.0565 0.0797 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0642 0.0916 0.0916
Brugia malayi Choline O-acetyltransferase 0.0565 0.0797 0.0797
Brugia malayi Muscleblind-like protein 0.0155 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0155 0.016 0.016
Onchocerca volvulus 0.0565 0.0797 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0565 0.0797 0.0797

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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