Detailed information for compound 1487975

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.442 | Formula: C19H28FN3O4
  • H donors: 3 H acceptors: 4 LogP: 3.66 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H](C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F)CN(C=O)O
  • InChi: 1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1
  • InChiKey: OWFALUNDSZEADU-PBHICJAKSA-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
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Peptide deformylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Treponema pallidum polypeptide deformylase (def) 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
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
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
Plasmodium falciparum peptide deformylase 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
Species Potential target Known druggable target Length Alignment span Identity
Leishmania braziliensis polypeptide deformylase-like protein, putative Peptide deformylase   168 aa 142 aa 23.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.3598 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1188 0.4377
Loa Loa (eye worm) beta-lactamase 0.0037 0.0133 0.0489
Schistosoma mansoni transient receptor potential channel 0.0066 0.1325 0.3592
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.2956 1
Echinococcus granulosus transient receptor potential ion channel A 0.0097 0.2578 0.7057
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.1325 0.3441
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.5
Plasmodium falciparum peptide deformylase 0.0279 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0718 0.2646
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0133 0.1221
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0133 0.023
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0133 0.0489
Echinococcus granulosus transient receptor potential gamma protein 0.01 0.2715 0.7452
Schistosoma mansoni lipoxygenase 0.0085 0.2097 0.5768
Schistosoma mansoni transient receptor potential channel 4 0.01 0.2715 0.751
Onchocerca volvulus 0.0037 0.0133 0.5
Schistosoma mansoni lipoxygenase 0.0122 0.3598 1
Brugia malayi beta-lactamase 0.0037 0.0133 0.1221
Loa Loa (eye worm) hypothetical protein 0.01 0.2715 1
Brugia malayi beta-lactamase family protein 0.0037 0.0133 0.1221
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2956 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0051 0.0189
Trypanosoma brucei Peptide deformylase 2 0.0106 0.2956 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Loa Loa (eye worm) hypothetical protein 0.0037 0.0137 0.0504
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Mycobacterium ulcerans peptide deformylase 0.0279 1 1
Schistosoma mansoni transient receptor potential channel 0.0066 0.1325 0.3592
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0133 0.5
Onchocerca volvulus 0.0037 0.0133 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0133 0.023
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2956 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0097 0.2578 0.7057
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 1 0.5
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.0137 0.0012
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.3598 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.1325 0.3441
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2956 1
Echinococcus multilocularis transient receptor potential gamma protein 0.01 0.2715 0.7452
Brugia malayi beta-lactamase family protein 0.0037 0.0133 0.1221
Onchocerca volvulus 0.0037 0.0133 0.5
Trichomonas vaginalis esterase, putative 0.0037 0.0133 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.1325 0.3441
Plasmodium vivax peptide deformylase, putative 0.0279 1 1
Schistosoma mansoni transient receptor potential channel 0.01 0.2715 0.751
Loa Loa (eye worm) hypothetical protein 0.0052 0.0718 0.2646
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.0137 0.0012
Brugia malayi Transient-receptor-potential like protein 0.0037 0.0137 0.1281
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0718 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0718 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.8337 0.8315
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.2956 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2956 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.1325 0.3441
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.5
Treponema pallidum polypeptide deformylase (def) 0.0279 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0489
Toxoplasma gondii hypothetical protein 0.0279 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 41 nM Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay ChEMBL. 21146987

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

No literature references available for this target.

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