TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.437 | Formula: C20H26FN3O4
H donors: 1 H acceptors: 4 LogP: 3.39 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=CN(C[C@H](C(=O)N1CCCN1C(=O)c1ccc(cc1)F)CC1CCCC1)O
InChi: 1S/C20H26FN3O4/c21-18-8-6-16(7-9-18)19(26)23-10-3-11-24(23)20(27)17(13-22(28)14-25)12-15-4-1-2-5-15/h6-9,14-15,17,28H,1-5,10-13H2/t17-/m1/s1
InChiKey: DDDUQDGFSIHOLN-QGZVFWFLSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
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
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
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine 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
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 knowlesi	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
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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase eta, putative	0.0051	0.136	0.3931
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.2163	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.4586	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Echinococcus granulosus	tar DNA binding protein	0.0072	0.2163	1
Schistosoma mansoni	DNA polymerase eta	0.0051	0.136	0.5783
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.2163	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.2163	1
Brugia malayi	TAR-binding protein	0.0072	0.2163	0.4401
Echinococcus multilocularis	dna polymerase eta	0.0051	0.136	0.5783
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1402	0.2642
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0259	0.0748
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.098	0.3787
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1402	0.6003
Plasmodium falciparum	peptide deformylase	0.0279	1	0.5
Leishmania major	DNA polymerase eta, putative	0.0036	0.0785	0.1643
Mycobacterium ulcerans	peptide deformylase	0.0279	1	1
Brugia malayi	hypothetical protein	0.0041	0.098	0.1666
Echinococcus granulosus	dna polymerase eta	0.0051	0.136	0.5783
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0259	0.0748
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.346	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.346	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.2163	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1402	0.6003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1402	0.6003
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.346	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.2163	0.4401
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0259	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.098	0.3787
Loa Loa (eye worm)	hypothetical protein	0.0051	0.136	0.2545
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0259	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1402	0.6003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Leishmania major	DNA polymerase eta, putative	0.0051	0.136	0.344
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1402	0.2642
Plasmodium vivax	peptide deformylase, putative	0.0279	1	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0051	0.136	0.2545
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0259	0.5
Toxoplasma gondii	hypothetical protein	0.0279	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1402	0.6003
Brugia malayi	RNA binding protein	0.0072	0.2163	0.4401
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.2163	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Trypanosoma cruzi	DNA polymerase eta, putative	0.0036	0.0785	0.1643
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0259	0.0748
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	1	0.5
Treponema pallidum	polypeptide deformylase (def)	0.0279	1	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.098	0.3787
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	1	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.2163	0.4401
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.346	1
Entamoeba histolytica	hypothetical protein	0.0041	0.098	1
Brugia malayi	MH2 domain containing protein	0.0136	0.4586	1
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.346	1
Entamoeba histolytica	hypothetical protein	0.0041	0.098	1
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.2163	0.4401
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	1	1
Entamoeba histolytica	hypothetical protein	0.0041	0.098	1
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.346	1
Trypanosoma brucei	unspecified product	0.0022	0.0259	0.0748
Schistosoma mansoni	hypothetical protein	0.0041	0.098	0.3787
Trypanosoma cruzi	DNA polymerase eta, putative	0.0051	0.136	0.344
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1402	0.6003
Entamoeba histolytica	hypothetical protein	0.0041	0.098	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1402	0.6003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0259	0.0748
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.2163	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.346	1
Loa Loa (eye worm)	RNA binding protein	0.0072	0.2163	0.4401
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.4586	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 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

ChEMBL: CHEMBL1796089

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.

Detailed information for compound 1019414