Detailed information for compound 1580671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.457 | Formula: C21H27N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc2c(c1)c1CCCCc1n2CCCN1CCNC(=O)C1
  • InChi: 1S/C21H27N3O3/c1-27-21(26)15-7-8-19-17(13-15)16-5-2-3-6-18(16)24(19)11-4-10-23-12-9-22-20(25)14-23/h7-8,13H,2-6,9-12,14H2,1H3,(H,22,25)
  • InChiKey: QHODDOIWBPCRRL-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
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.5902 0.5684 1
Echinococcus multilocularis choline O acetyltransferase 0.1296 0.1172 0.2062
Onchocerca volvulus 0.1296 0.1172 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.2146 0.2004 0.1998
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0135 0.0035 0.0296
Loa Loa (eye worm) hypothetical protein 1.0309 1 1
Schistosoma mansoni choline o-acyltransferase 0.1296 0.1172 1
Brugia malayi Choline O-acetyltransferase 0.1296 0.1172 0.1165
Echinococcus granulosus choline O acetyltransferase 0.1296 0.1172 0.2062
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.5902 0.5684 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1296 0.1172 0.1165
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.5902 0.5684 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.5902 0.5684 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.2146 0.2004 0.3526
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.5902 0.5684 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.2146 0.2004 0.1845
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.2146 0.2004 1
Loa Loa (eye worm) choline O-acetyltransferase 0.1296 0.1172 0.1155
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0146 0.0046 0.008
Onchocerca volvulus 0.1296 0.1172 0.5
Schistosoma mansoni choline o-acyltransferase 0.1296 0.1172 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.2146 0.2004 0.3526
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.1296 0.1172 0.1155
Brugia malayi Metabotropic glutamate receptor precursor. 0.0118 0.0019 0.0011
Loa Loa (eye worm) hypothetical protein 0.1296 0.1172 0.1155
Brugia malayi Choline O-acetyltransferase 0.1296 0.1172 0.1165
Leishmania major carnitine palmitoyltransferase-like protein 0.2146 0.2004 0.1845
Onchocerca volvulus 0.1296 0.1172 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0146 0.0046 0.008
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.2146 0.2004 0.1989
Loa Loa (eye worm) hypothetical protein 0.0146 0.0046 0.0027
Onchocerca volvulus 0.1296 0.1172 0.5

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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