Detailed information for compound 1824349

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.364 | Formula: C18H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)c1cccc(c1)c1ccccc1)C(=O)NC
  • InChi: 1S/C18H20N2O2/c1-3-12-20(18(22)19-2)17(21)16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,19,22)
  • InChiKey: CMKDRKQOTORVQR-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
Giardia lamblia Mevalonate kinase 0.0118 0.1576 0.5
Echinococcus multilocularis N acetylgalactosamine kinase 0.018 0.3511 0.2298
Brugia malayi galactokinase family protein 0.018 0.3511 1
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0118 0.1576 0.5
Trypanosoma cruzi galactokinase, putative 0.0386 1 1
Schistosoma mansoni galactokinase 0.018 0.3511 1
Trypanosoma brucei galactokinase-like protein, putative 0.0256 0.5923 1
Mycobacterium ulcerans galactokinase 0.0386 1 1
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.018 0.3511 1
Trichomonas vaginalis galactokinase, putative 0.018 0.3511 1
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0386 1 1
Trypanosoma cruzi homoserine kinase 0.0118 0.1576 0.1576
Trichomonas vaginalis galactokinase, putative 0.018 0.3511 1
Trypanosoma cruzi homoserine kinase 0.0118 0.1576 0.1576
Entamoeba histolytica galactokinase, putative 0.0386 1 0.5
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0118 0.1576 0.5
Trypanosoma cruzi galactokinase, putative 0.0336 0.8424 0.8424
Trypanosoma cruzi galactokinase-like protein, putative 0.0336 0.8424 0.8424
Echinococcus granulosus N acetylgalactosamine kinase 0.018 0.3511 0.2298
Trypanosoma cruzi mevalonate kinase, putative 0.0118 0.1576 0.1576
Echinococcus multilocularis galactokinase 0.0386 1 1
Loa Loa (eye worm) galactokinase 0.018 0.3511 1
Trypanosoma cruzi galactokinase, putative 0.0386 1 1
Trichomonas vaginalis galactokinase, putative 0.018 0.3511 1
Leishmania major galactokinase-like protein 0.0386 1 1
Trichomonas vaginalis galactokinase, putative 0.018 0.3511 1
Treponema pallidum galactokinase 0.0336 0.8424 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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