Detailed information for compound 1017774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.435 | Formula: C19H27N3O5
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(C[C@H](C(=O)N1CCCCN1C(=O)c1cocc1)CC1CCCC1)O
  • InChi: 1S/C19H27N3O5/c23-14-20(26)12-17(11-15-5-1-2-6-15)19(25)22-9-4-3-8-21(22)18(24)16-7-10-27-13-16/h7,10,13-15,17,26H,1-6,8-9,11-12H2/t17-/m1/s1
  • InChiKey: KOMJMNUSMGRJIR-QGZVFWFLSA-N  

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
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium ulcerans peptide deformylase 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
Neospora caninum Peptide deformylase, related 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
Toxoplasma gondii hypothetical protein 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
Plasmodium yoelii polypeptide deformylase, putative 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
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0572 0.0572
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0593 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0414 0.6988
Echinococcus multilocularis neuropeptide s receptor 0.0483 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0414 0.6988
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0593 0.0593
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.2028 1
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.2028 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0414 0.0981
Echinococcus multilocularis neuropeptide receptor A26 0.0483 1 1
Onchocerca volvulus 0.003 0.0414 0.0857
Schistosoma mansoni inositol monophosphatase 0.0039 0.0593 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0391 0.0391
Mycobacterium ulcerans peptide deformylase 0.0279 0.5676 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2028 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.2028 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0414 0.0414
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0414 0.6988
Brugia malayi hypothetical protein 0.0038 0.0572 0.1354
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0414 0.0414
Toxoplasma gondii hypothetical protein 0.0279 0.5676 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.4224 1
Brugia malayi Inositol-1 0.0039 0.0593 0.1404
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0414 0.0414
Brugia malayi Pre-SET motif family protein 0.021 0.4224 1
Plasmodium vivax peptide deformylase, putative 0.0279 0.5676 1
Onchocerca volvulus 0.0239 0.4838 1
Echinococcus granulosus neuropeptide receptor A26 0.0483 1 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.5676 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.5676 1
Plasmodium falciparum peptide deformylase 0.0279 0.5676 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0572 0.0572
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0572 0.9643
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.5676 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0593 0.034
Trichomonas vaginalis set domain proteins, putative 0.0239 0.4838 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2028 1
Schistosoma mansoni hypothetical protein 0.0038 0.0572 0.9643
Treponema pallidum polypeptide deformylase (def) 0.0279 0.5676 0.5
Loa Loa (eye worm) inositol-1 0.0039 0.0593 0.1404
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2028 1
Brugia malayi Pre-SET motif family protein 0.003 0.0414 0.0981
Chlamydia trachomatis peptide deformylase 0.0279 0.5676 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 0.0593 1
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0593 0.0593
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2028 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0414 0.6988

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 nM Inhibition of Escherichia coli nickel containing peptide deformylase ChEMBL. 21621999

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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