Detailed information for compound 411397

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.346 | Formula: C15H22N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(CC(Cc1ccccc1)NC(=O)OC(C)(C)C)O
  • InChi: 1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)
  • InChiKey: WLOCWKYZMRXKHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli peptide deformylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium yoelii polypeptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium knowlesi peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) Get druggable targets OG5_128237 All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Treponema pallidum polypeptide deformylase (def) Get druggable targets OG5_128237 All targets in OG5_128237
Chlamydia trachomatis peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium vivax peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128237 All targets in OG5_128237
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) proteasome A-type and B-type family protein 0.0599 1 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0599 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0599 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0599 1 0.5
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0599 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0599 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0599 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0599 1 0.5
Echinococcus granulosus proteasome prosome macropain 0.0599 1 0.5
Treponema pallidum polypeptide deformylase (def) 0.0279 0.3503 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0599 1 0.5
Mycobacterium ulcerans proteasome PrcB 0.0599 1 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.3503 0.5
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0599 1 0.5
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0599 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0599 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0599 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0599 1 1
Chlamydia trachomatis peptide deformylase 0.0279 0.3503 0.5
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0599 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human mitochondrial PDF ChEMBL. 17201406
IC50 (binding) 0 Inhibition of human mitochondrial PDF ChEMBL. 17201406
IC50 (binding) = 0.05 uM Inhibition of PDF1B ChEMBL. 17201406
IC50 (binding) = 0.05 uM Inhibition of PDF1B ChEMBL. 17201406
IC50 (binding) = 0.4 uM Inhibition of PDF2 ChEMBL. 17201406
IC50 (binding) = 150 uM Inhibition of Arabidopsis thaliana mitochondrial PDF1A ChEMBL. 17201406
IC50 (binding) = 150 uM Inhibition of Arabidopsis thaliana mitochondrial PDF1A ChEMBL. 17201406
MIC (functional) 0 Antibacterial activity against Bacillus subtilis ChEMBL. 17201406
MIC (functional) 0 Antibacterial activity against Escherichia coli K37 ChEMBL. 17201406
MIC (functional) = 9 ug ml-1 Antibacterial activity against Bacillus subtilis Y101 ChEMBL. 17201406
MIC (functional) = 120 ug ml-1 Antibacterial activity against Escherichia coli CAG1284 ChEMBL. 17201406
MIC (functional) = 120 ug ml-1 Antibacterial activity against Escherichia coli CAG1284 ChEMBL. 17201406
MIC (functional) > 300 ug ml-1 Antibacterial activity against Escherichia coli JM101Tr ChEMBL. 17201406
MIC (functional) > 300 ug ml-1 Antibacterial activity against Bacillus subtilis 168 ChEMBL. 17201406
MIC (functional) > 300 ug ml-1 Antibacterial activity against Bacillus subtilis D101 ChEMBL. 17201406
MIC (functional) > 300 ug ml-1 Antibacterial activity against Bacillus subtilis MO3482 ChEMBL. 17201406
MIC (functional) > 300 ug ml-1 Antibacterial activity against Escherichia coli JM101Tr ChEMBL. 17201406

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.