TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.497 | Formula: C19H34N4O5
H donors: 3 H acceptors: 4 LogP: 1.15 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CN(C(=O)[C@H](C(C)(C)C)NC(=O)N1CCOCC1)CC1CCCC1
InChi: 1S/C19H34N4O5/c1-19(2,3)16(20-18(26)22-8-10-28-11-9-22)17(25)23(13-15(24)21-27)12-14-6-4-5-7-14/h14,16,27H,4-13H2,1-3H3,(H,20,26)(H,21,24)/t16-/m1/s1
InChiKey: SXUNCVUOMVTCPS-MRXNPFEDSA-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
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
Toxoplasma gondii	hypothetical protein	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
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
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 tuberculosis	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
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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0059
Schistosoma mansoni	cpg binding protein	0.0034	0.0236	0.0767
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0031	0.0194	0.0241
Schistosoma mansoni	smad	0.0017	0.0045	0.0145
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1008	0.0859
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0129	0.0128
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0129	0.0128
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Echinococcus granulosus	peptidase Clp S14 family	0.0058	0.049	0.2861
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0186	0.0084
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0263	0.2689	0.8725
Brugia malayi	glutaminase DH11.1	0.0299	0.3076	1
Brugia malayi	F/Y-rich N-terminus family protein	0.002	0.0078	0.011
Chlamydia trachomatis	peptide deformylase	0.0279	0.2857	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0129	0.0128
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0611	0.1868
Plasmodium vivax	peptide deformylase, putative	0.0279	0.2857	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0611	0.1986
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0133	0.1292	0.1148
Brugia malayi	PHD-finger family protein	0.003	0.0186	0.0466
Brugia malayi	jmjC domain containing protein	0.0097	0.0911	0.2857
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0129	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0059
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0611	0.1986
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0945	1	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0263	0.2689	0.8725
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0611	0.1986
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.1819	0.0735
Onchocerca volvulus		0.0155	0.1533	0.8828
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.1819	0.0735
Brugia malayi	hypothetical protein	0.0155	0.1533	0.4909
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0498	0.5205	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0611	0.1986
Echinococcus multilocularis	Smad4	0.0017	0.0045	0.0261
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0273	0.1594
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0089	0.0817	0.4772
Loa Loa (eye worm)	hypothetical protein	0.003	0.0186	0.0466
Echinococcus multilocularis	cpg binding protein	0.0034	0.0236	0.1378
Loa Loa (eye worm)	glutaminase 2	0.0299	0.3076	1
Brugia malayi	jmjC domain containing protein	0.0038	0.0273	0.0752
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.2857	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0129	0.0277
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0447	0.4663	0.4593
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0945	1	1
Brugia malayi	Probable ClpP-like protease	0.0089	0.0817	0.2547
Mycobacterium ulcerans	hypothetical protein	0.0498	0.5205	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0059
Echinococcus granulosus	cpg binding protein	0.0034	0.0236	0.1378
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0129	0.0149
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0273	0.0887
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0216	0.0565
Brugia malayi	MH2 domain containing protein	0.0243	0.2471	0.8006
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0611	0.1868
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0089	0.0817	0.2699
Schistosoma mansoni	cpg binding protein	0.0033	0.0216	0.0702
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0129	0.0128
Brugia malayi	Bromodomain containing protein	0.003	0.0186	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1533	0.4909
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0058	0.049	0.1323
Schistosoma mansoni	peptidase Clp (S14 family)	0.0089	0.0817	0.2656
Echinococcus multilocularis	smad	0.0017	0.0045	0.0261
Schistosoma mansoni	cpg binding protein	0.0034	0.0236	0.0767
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0253	0.1477
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0045	0.0261
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0611	0.1868
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.0911	0.532
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0129	0.0277
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0945	1	1
Schistosoma mansoni	hypothetical protein	0.0172	0.1712	0.5566
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.2699
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1604	0.1464
Toxoplasma gondii	hypothetical protein	0.0279	0.2857	1
Onchocerca volvulus	Alhambra homolog	0.003	0.0186	0.036
Plasmodium falciparum	peptide deformylase	0.0279	0.2857	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0089	0.0817	0.2522
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0133	0.1292	0.1148
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.2857	0.5445
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.0817	0.2426
Toxoplasma gondii	hypothetical protein	0.0152	0.1502	0.4968
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0063	0.0021
Mycobacterium ulcerans	peptide deformylase	0.0279	0.2857	0.5435
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0129	0.0149
Onchocerca volvulus		0.0033	0.0216	0.055
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.2699
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0089	0.0817	0.4772
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.0817	0.2426
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.1008	0.0859
Echinococcus granulosus	peregrin	0.003	0.0186	0.1086
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0194	0.0472
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0447	0.4663	0.4574
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0129	0.0277
Echinococcus granulosus	Smad4	0.0017	0.0045	0.0261
Plasmodium falciparum	phd finger protein, putative	0.003	0.0186	0.0441
Loa Loa (eye worm)	MH2 domain-containing protein	0.0243	0.2471	0.8006
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0129	0.0128
Brugia malayi	RNA binding protein	0.0069	0.0611	0.1868
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0186	0.1086
Entamoeba histolytica	hypothetical protein	0.0037	0.026	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.1467
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1008	0.0859
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0133	0.1292	0.1148
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.2857	1
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0311	0.1815
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0311	0.1815
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0447	0.4663	0.4574
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0045	0.0145
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1008	0.0859
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0163	0.0391
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0273	0.0752
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0611	0.3568
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0525	0.1585
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0129	0.0277
Brugia malayi	hypothetical protein	0.0028	0.0163	0.0391
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.2337
Echinococcus granulosus	geminin	0.0172	0.1712	1
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0186	0.0466
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.1467
Giardia lamblia	PHD finger protein 15	0.003	0.0186	0.5
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0186	0.1086
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0696	0.2264
Entamoeba histolytica	hypothetical protein	0.0037	0.026	1
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0045	0.0145
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0186	0.0441
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0528	0.1354
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0129	0.0277
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0018	0.0058	0.0189
Onchocerca volvulus	Glucosylceramidase homolog	0.0173	0.1719	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0133	0.1292	0.1148
Schistosoma mansoni	hypothetical protein	0.0037	0.026	0.0847
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.2857	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0186	0.0604
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.026	0.1521
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0059
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0163	0.036
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.1008	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0063	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0817	0.2547
Echinococcus granulosus	smad	0.0017	0.0045	0.0261
Echinococcus granulosus	tar DNA binding protein	0.0069	0.0611	0.3568
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0611	0.1986
Trichomonas vaginalis	glutaminase, putative	0.0299	0.3076	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0058	0.049	0.2861
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.0911	0.532
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.026	0.0847
Loa Loa (eye worm)	transcription factor SMAD2	0.0243	0.2471	0.8006
Mycobacterium ulcerans	glutaminase	0.0299	0.3076	0.586
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0058	0.049	0.085
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0413	0.1217
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0194	0.0472
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0817	0.2699
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0045	0.0145
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0045	0.0261
Leishmania major	hypothetical protein, conserved	0.0028	0.0163	0.0035
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.1008	0.0859
Entamoeba histolytica	hypothetical protein	0.0037	0.026	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0163	0.036
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0045	0.0261
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0129	0.0128
Toxoplasma gondii	hypothetical protein	0.0031	0.0194	0.0116
Echinococcus multilocularis	peregrin	0.003	0.0186	0.1086
Schistosoma mansoni	hypothetical protein	0.0172	0.1712	0.5566
Entamoeba histolytica	hypothetical protein	0.0037	0.026	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1008	0.0859
Brugia malayi	TAR-binding protein	0.0069	0.0611	0.1868
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.0607	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0129	0.0277
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.2689	0.7152
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0163	0.036
Brugia malayi	hypothetical protein	0.0037	0.026	0.0712
Schistosoma mansoni	Smad4	0.0017	0.0045	0.0145
Loa Loa (eye worm)	glutaminase	0.0299	0.3076	1
Schistosoma mansoni	hypothetical protein	0.003	0.0186	0.0604
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0273	0.0887
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0129	0.0128
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0216	0.0565
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0045	0.0261
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0186	0.0084
Schistosoma mansoni	glutaminase	0.0299	0.3076	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0045	0.0145
Brugia malayi	hypothetical protein	0.0018	0.0058	0.0045
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0058	0.049	0.085
Echinococcus multilocularis	geminin	0.0172	0.1712	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.026	0.1521
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0611	0.1868

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 28 nM	Inhibition of Pseudomonas aeruginosa Peptide deformylase by fluorescence analysis	ChEMBL.	20615695

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: CHEMBL1209044

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1132546