Detailed information for compound 1018516

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.456 | Formula: C18H31N3O5
  • H donors: 1 H acceptors: 4 LogP: 3.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(C[C@H](C(=O)N1CCCN1C(=O)OC(C)(C)C)CC1CCCC1)O
  • InChi: 1S/C18H31N3O5/c1-18(2,3)26-17(24)21-10-6-9-20(21)16(23)15(12-19(25)13-22)11-14-7-4-5-8-14/h13-15,25H,4-12H2,1-3H3/t15-/m1/s1
  • InChiKey: OJQTZJBNVNRCTH-OAHLLOKOSA-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
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine 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
Wolbachia endosymbiont of Brugia malayi 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
Toxoplasma gondii hypothetical protein 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
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
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 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

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
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1024 1
Schistosoma mansoni hypothetical protein 0.0052 0.0395 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0241 0.0794
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0241 0.6096
Mycobacterium tuberculosis Conserved protein 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0241 0.0794
Plasmodium falciparum peptide deformylase 0.0279 0.3029 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0241 0.0794
Brugia malayi beta-lactamase family protein 0.0039 0.0241 0.087
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.1024 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0241 0.087
Brugia malayi hypothetical protein 0.0256 0.2765 1
Onchocerca volvulus 0.0052 0.0395 1
Brugia malayi beta-lactamase family protein 0.0039 0.0241 0.087
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0241 1
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0241 0.0794
Brugia malayi beta-lactamase 0.0039 0.0241 0.087
Trichomonas vaginalis esterase, putative 0.0039 0.0241 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0241 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0241 1
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.2765 0.2765
Treponema pallidum polypeptide deformylase (def) 0.0279 0.3029 1
Leishmania major hypothetical protein, conserved 0.0039 0.0241 0.2348
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.2765 1
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0249 0.2684 0.886
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Toxoplasma gondii ABC1 family protein 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Conserved protein 0.0039 0.0241 0.0794
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0241 0.0241
Schistosoma mansoni survival motor neuron protein 0.0052 0.0395 1
Mycobacterium ulcerans lipase LipD 0.0039 0.0241 0.0794
Plasmodium vivax peptide deformylase, putative 0.0279 0.3029 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0241 0.2348
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0241 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.0241 0.0794
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0241 0.0794
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.3029 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1024 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1024 1
Mycobacterium ulcerans peptide deformylase 0.0279 0.3029 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0241 0.2348
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.3029 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0241 1
Toxoplasma gondii hypothetical protein 0.0279 0.3029 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.3029 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0241 0.087
Loa Loa (eye worm) beta-lactamase 0.0039 0.0241 0.087
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0241 0.0794
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.087
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0241 0.2348
Chlamydia trachomatis peptide deformylase 0.0279 0.3029 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0395 0.1427
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0241 0.6096
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.1024 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1024 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0241 0.087
Loa Loa (eye worm) hypothetical protein 0.0256 0.2765 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0241 0.0794
Mycobacterium tuberculosis Conserved protein 0.0039 0.0241 0.0794
Trypanosoma brucei Peptide deformylase 2 0.0106 0.1024 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 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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