Detailed information for compound 1018943

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.434 | Formula: C19H26N4O4
  • H donors: 1 H acceptors: 5 LogP: 2.22 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(C[C@H](C(=O)N1CCCN1C(=O)c1cccnc1)CC1CCCC1)O
  • InChi: 1S/C19H26N4O4/c24-14-21(27)13-17(11-15-5-1-2-6-15)19(26)23-10-4-9-22(23)18(25)16-7-3-8-20-12-16/h3,7-8,12,14-15,17,27H,1-2,4-6,9-11,13H2/t17-/m1/s1
  • InChiKey: ORJYDONZCSIOOV-QGZVFWFLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE 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
Chlamydia trachomatis 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
Toxoplasma gondii hypothetical protein 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 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
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 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
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
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0794 0.0794
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0794 0.1199
Onchocerca volvulus 0.0233 0.7808 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.2491 0.5
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0794 0.1371
Brugia malayi RNA binding protein 0.0066 0.0794 0.1199
Brugia malayi Pre-SET motif family protein 0.0205 0.6622 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.9718 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0794 0.0794
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0794 0.0794
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2491 0.5
Treponema pallidum polypeptide deformylase (def) 0.0279 0.9718 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.579 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0273 0.0471
Chlamydia trachomatis peptide deformylase 0.0279 0.9718 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0273 0.0412
Echinococcus granulosus tar DNA binding protein 0.0066 0.0794 0.1371
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2491 0.5
Loa Loa (eye worm) MBCTL1 0.0053 0.0273 0.0412
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.2491 0.5
Plasmodium falciparum peptide deformylase 0.0279 0.9718 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0273 0.0412
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0794 0.0794
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0273 0.0273
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.2491 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.9718 0.5
Mycobacterium ulcerans peptide deformylase 0.0279 0.9718 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.2491 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0794 0.0794
Plasmodium vivax peptide deformylase, putative 0.0279 0.9718 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0794 0.1199
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.579 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0794 0.1199
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.9718 0.5
Loa Loa (eye worm) RNA binding protein 0.0066 0.0794 0.1199
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.2491 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0273 0.0471
Brugia malayi TAR-binding protein 0.0066 0.0794 0.1199
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.6622 1
Toxoplasma gondii hypothetical protein 0.0279 0.9718 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0273 0.0471
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0273 0.0471
Trichomonas vaginalis set domain proteins, putative 0.0233 0.7808 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 300 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.

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