TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.499 | Formula: C22H31N3O4
H donors: 1 H acceptors: 4 LogP: 3.59 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=CN(C[C@H](C(=O)N1CCCCN1C(=O)Cc1ccccc1)CC1CCCC1)O
InChi: 1S/C22H31N3O4/c26-17-23(29)16-20(14-18-10-4-5-11-18)22(28)25-13-7-6-12-24(25)21(27)15-19-8-2-1-3-9-19/h1-3,8-9,17-18,20,29H,4-7,10-16H2/t20-/m1/s1
InChiKey: YPPRYNKLQIYNAL-HXUWFJFHSA-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
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
Plasmodium knowlesi	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
Mycobacterium ulcerans	peptide 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
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
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
Treponema pallidum	polypeptide deformylase (def)	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

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
Brugia malayi	MH2 domain containing protein	0.0009	0.0142	0.0254
Toxoplasma gondii	hypothetical protein	0.0279	0.788	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.4579	1
Echinococcus multilocularis	GPCR, family 2	0.0052	0.1369	0.1294
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.788	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0112	0.3093	0.6736
Brugia malayi	MH1 domain containing protein	0.0009	0.0142	0.0254
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0164	0.4579	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0052	0.1369	0.1294
Schistosoma mansoni	smad	0.0009	0.0142	0.0142
Chlamydia trachomatis	peptide deformylase	0.0279	0.788	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Echinococcus granulosus	smad	0.0009	0.0142	0.0056
Brugia malayi	Latrophilin receptor protein 2	0.0052	0.1369	0.2949
Brugia malayi	MH2 domain containing protein	0.0009	0.0142	0.0254
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0142	0.0056
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0052	0.1369	0.2949
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3093	0.6736
Schistosoma mansoni	hypothetical protein	0.0052	0.1369	0.1369
Echinococcus granulosus	GPCR family 2	0.0052	0.1369	0.1294
Schistosoma mansoni	hypothetical protein	0.0052	0.1369	0.1369
Schistosoma mansoni	cpg binding protein	0.003	0.0749	0.0749
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0136	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0164	0.4579	1
Trichomonas vaginalis	helicase, putative	0.0006	0.0068	0.5
Echinococcus multilocularis	geminin	0.0353	1	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.2934	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0142	0.0254
Plasmodium vivax	peptide deformylase, putative	0.0279	0.788	0.5
Plasmodium falciparum	peptide deformylase	0.0279	0.788	0.5
Echinococcus multilocularis	Smad4	0.0009	0.0142	0.0056
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0136	0.005
Schistosoma mansoni	hypothetical protein	0.0052	0.1369	0.1369
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0052	0.1369	0.1294
Brugia malayi	Smad1	0.0009	0.0142	0.0254
Echinococcus granulosus	Smad4	0.0009	0.0142	0.0056
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0142	0.0142
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0133	0.0235
Schistosoma mansoni	hypothetical protein	0.0353	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Schistosoma mansoni	Smad4	0.0009	0.0142	0.0142
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0052	0.1369	0.2949
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.3686	0.8038
Echinococcus multilocularis	smad	0.0009	0.0142	0.0056
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2934	0.5
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0142	0.0056
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.3686	0.8038
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.162	0.162
Echinococcus granulosus	cpg binding protein	0.003	0.0749	0.0668
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0086	0.0086
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.2934	0.5
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0142	0.0142
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2934	0.5
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2934	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0052	0.1369	0.1294
Brugia malayi	MH2 domain containing protein	0.0133	0.3686	0.8038
Schistosoma mansoni	cpg binding protein	0.003	0.0749	0.0749
Onchocerca volvulus		0.0029	0.0702	0.5
Brugia malayi	MH1 domain containing protein	0.0009	0.0142	0.0254
Loa Loa (eye worm)	Smad1	0.0009	0.0142	0.0254
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0068	0.5
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0702	0.1485
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0142	0.0142
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0142	0.0254
Schistosoma mansoni	hypothetical protein	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1369	0.2949
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0164	0.4579	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0142	0.0056
Schistosoma mansoni	hypothetical protein	0.0052	0.1369	0.1369
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0142	0.0142
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.788	0.5
Echinococcus multilocularis	cpg binding protein	0.003	0.0749	0.0668
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0702	0.1485
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2934	0.5
Mycobacterium ulcerans	peptide deformylase	0.0279	0.788	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0136	0.0242
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0052	0.1369	0.1294
Schistosoma mansoni	hypothetical protein	0.0112	0.3093	0.3093
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.788	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0142	0.0056
Schistosoma mansoni	cpg binding protein	0.0029	0.0702	0.0702
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.788	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.2934	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0068	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0068	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0068	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 60 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: CHEMBL1796100

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 1017776