Detailed information for compound 26553

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 256.3 | Formula: C15H16N2O2
  • H donors: 3 H acceptors: 2 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cccc(c1NC(=O)c1ccc(cc1)N)C
  • InChi: 1S/C15H16N2O2/c1-10-3-2-4-12(9-18)14(10)17-15(19)11-5-7-13(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19)
  • InChiKey: GEDZBKBQRIDEAL-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
Brugia malayi N-myristoyltransferase 2 0.0179 0.0791 0.5
Trypanosoma brucei N-myristoyltransferase 0.0179 0.0791 0.5
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0179 0.0791 0.5
Trypanosoma brucei N-myristoyl transferase, putative 0.0179 0.0791 0.5
Schistosoma mansoni N-myristoyltransferase 0.0179 0.0791 0.5
Trichomonas vaginalis N-myristoyl transferase, putative 0.0179 0.0791 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0179 0.0791 0.5
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0179 0.0791 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0179 0.0791 0.5
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.0892 1 0.5
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0179 0.0791 0.5
Leishmania major N-myristoyl transferase, putative 0.0179 0.0791 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0179 0.0791 0.5
Loa Loa (eye worm) N-myristoyltransferase 2 0.0179 0.0791 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0179 0.0791 0.5
Mycobacterium ulcerans naphthoate synthase 0.0892 1 0.5
Giardia lamblia CDC72 0.0179 0.0791 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3.9 mg kg-1 Anticonvulsant effect of the compound was determined by maximal electroshock assay in mice after intravenous administration. ChEMBL. 2016702
ED50 (functional) = 3.9 mg kg-1 Anticonvulsant effect of the compound was determined by maximal electroshock assay in mice after intravenous administration. ChEMBL. 2016702
ED50 (functional) = 10.9 mg kg-1 Anticonvulsant effect of the compound was determined by maximal electroshock assay in mice after peroral administration. ChEMBL. 2016702
ED50 (functional) = 10.9 mg kg-1 Anticonvulsant effect of the compound was determined by maximal electroshock assay in mice after peroral administration. ChEMBL. 2016702
ED50 (functional) = 66 mg kg-1 Anticonvulsant effect of the compound was determined by horizontal screen assay in mice after peroral administration. ChEMBL. 2016702
ED50 (functional) = 66 mg kg-1 Anticonvulsant effect of the compound was determined by horizontal screen assay in mice after peroral administration. ChEMBL. 2016702
Protective index (functional) = 6 Protective index measured as the ratio of HS ED50/MES ED50 values. ChEMBL. 2016702
TPE (functional) = 1 hr Time to peak anticonvulsant effect of the compound was measured after oral dosing in mice. ChEMBL. 2016702
TPE (functional) = 1 hr Time to peak anticonvulsant effect of the compound was measured after oral dosing in mice. ChEMBL. 2016702

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

1 literature reference was collected for this gene.

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