Detailed information for compound 430954

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.363 | Formula: C17H21F2N3O4
  • H donors: 2 H acceptors: 3 LogP: 1.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CCN(CC1)c1c(F)cc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C
  • InChi: 1S/C17H21F2N3O4/c1-10(23)20-8-13-9-22(17(25)26-13)11-6-14(18)16(15(19)7-11)21-4-2-12(24)3-5-21/h6-7,12-13,24H,2-5,8-9H2,1H3,(H,20,23)/t13-/m0/s1
  • InChiKey: WAGKFAWCULHTNG-ZDUSSCGKSA-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
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0137 0 0.5
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0137 0 0.5
Loa Loa (eye worm) lipase 0.0595 0.4599 0.4599
Trichomonas vaginalis lipase containing protein, putative 0.0595 0.4599 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0137 0 0.5
Trypanosoma brucei lipase domain protein, putative 0.0595 0.4599 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0595 0.4599 0.4599
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1133 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.4599 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0137 0 0.5
Trichomonas vaginalis lipase containing protein, putative 0.0595 0.4599 0.5
Onchocerca volvulus 0.0595 0.4599 0.5
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0137 0 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0152 0.0155 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0595 0.4599 0.4599
Leishmania major hypothetical protein, conserved 0.0595 0.4599 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0152 0.0155 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.1133 1 1
Loa Loa (eye worm) hypothetical protein 0.1133 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.4599 1
Brugia malayi Lipase family protein 0.0595 0.4599 0.4599
Echinococcus granulosus fatty acid amide hydrolase 1 0.1133 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1133 1 1
Trypanosoma brucei lipase domain protein, putative 0.0595 0.4599 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0137 0 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.1133 1 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0137 0 0.5
Schistosoma mansoni amidase 0.1133 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.7 uM Intrinsic binding affinity to Escherichia coli ribosmes by TnT assay ChEMBL. 17681758
IC50 (functional) = 1.7 uM Intrinsic binding affinity to Escherichia coli ribosmes by TnT assay ChEMBL. 17681758
IC50 (functional) = 11 uM Inhibition of mitochondrial protein synthesis in Escherichia coli assessed as [35S]methionine incorporation method ChEMBL. 17681758
IC50 (functional) = 11 uM Inhibition of mitochondrial protein synthesis in Escherichia coli assessed as [35S]methionine incorporation method ChEMBL. 17681758
MIC90 (functional) = 1 ug ml-1 Antibacterial activity against Streptococcus pneumoniae by broth microdilution method ChEMBL. 17681758
MIC90 (functional) = 2 ug ml-1 Antibacterial activity against Staphylococcus aureus by broth microdilution method ChEMBL. 17681758
MIC90 (functional) = 2 ug ml-1 Antibacterial activity against Enterococcus faecalis by broth microdilution method ChEMBL. 17681758

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Escherichia coli ChEMBL23 17681758

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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