TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 386.486 | Formula: C18H34N4O5
H donors: 4 H acceptors: 4 LogP: 1.19 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: COCCNC(=O)N[C@@H](C(C)(C)C)C(=O)N(CC(=O)NO)CC1CCCC1
InChi: 1S/C18H34N4O5/c1-18(2,3)15(20-17(25)19-9-10-27-4)16(24)22(12-14(23)21-26)11-13-7-5-6-8-13/h13,15,26H,5-12H2,1-4H3,(H,21,23)(H2,19,20,25)/t15-/m1/s1
InChiKey: GEBZGSJAHHGWIS-OAHLLOKOSA-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
Mycobacterium tuberculosis	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
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
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

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
Giardia lamblia	PHD finger protein 15	0.0029	0.0032	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.008	0.0796	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0682	0.2019
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0123	0.0454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1049	0.272
Echinococcus multilocularis	lamin dm0	0.0055	0.0429	0.0429
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1122	0.3319
Entamoeba histolytica	hypothetical protein	0.0037	0.0158	0.1297
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0623	0.1589
Entamoeba histolytica	hypothetical protein	0.0037	0.0158	0.1297
Echinococcus multilocularis	musashi	0.0055	0.0429	0.0429
Plasmodium falciparum	acyl-CoA synthetase	0.0072	0.0682	0.1746
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1049	0.3103
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1198	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.008	0.0796	0.0796
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1049	0.8727
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1371	0.4055
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1049	0.8727
Schistosoma mansoni	hypothetical protein	0.008	0.0796	0.357
Schistosoma mansoni	hypothetical protein	0.008	0.0796	0.357
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1049	0.3103
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0025	0.0074
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1198	1
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.1198	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0096	0.1049	0.272
Brugia malayi	jmjC domain containing protein	0.0094	0.1016	0.2954
Echinococcus multilocularis	tumor protein p63	0.0692	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0032	0.0095
Brugia malayi	Bromodomain containing protein	0.0029	0.0032	0.0021
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0032	0.0019
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.3789	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.008	0.0796	0.2354
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.008	0.0796	0.0796
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.1016	0.1016
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0044	0.013
Schistosoma mansoni	hypothetical protein	0.008	0.0796	0.357
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0429	0.1271
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1049	0.3052
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1198	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0032	0.0032
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0123	0.0364
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0032	0.0019
Plasmodium vivax	acyl-CoA synthetase, putative	0.0072	0.0682	0.1746
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1049	0.8727
Brugia malayi	MH2 domain containing protein	0.0118	0.1371	0.4011
Echinococcus granulosus	lamin dm0	0.0055	0.0429	0.0429
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1371	0.4055
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0032	0.0032
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.3789	0.5
Onchocerca volvulus		0.0101	0.1122	1
Echinococcus granulosus	GPCR family 2	0.008	0.0796	0.0796
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0429	0.1874
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.1049	1
Mycobacterium ulcerans	hypothetical protein	0.0096	0.1049	0.272
Plasmodium vivax	peptide deformylase, putative	0.0279	0.3789	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0493	0.1457
Onchocerca volvulus		0.0096	0.1049	0.9336
Echinococcus granulosus	intermediate filament protein	0.0055	0.0429	0.0429
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.1198	1
Chlamydia trachomatis	peptide deformylase	0.0279	0.3789	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1049	0.272
Brugia malayi	Latrophilin receptor protein 2	0.008	0.0796	0.2297
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0623	0.1589
Entamoeba histolytica	acyl-coA synthetase, putative	0.0096	0.1049	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0123	0.0454
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.3789	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.3789	1
Toxoplasma gondii	hypothetical protein	0.0279	0.3789	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0796	0.2354
Schistosoma mansoni	hypothetical protein	0.0172	0.2184	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0123	0.0123
Echinococcus granulosus	peregrin	0.0029	0.0032	0.0032
Plasmodium falciparum	peptide deformylase	0.0279	0.3789	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0429	0.1206
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.1198	1
Echinococcus multilocularis	lamin	0.0055	0.0429	0.0429
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0252	0.338	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0032	0.0019
Schistosoma mansoni	lamin	0.0055	0.0429	0.1874
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.1049	1
Brugia malayi	hypothetical protein	0.0037	0.0158	0.0396
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.008	0.0796	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0682	0.2019
Loa Loa (eye worm)	hypothetical protein	0.0252	0.338	1
Schistosoma mansoni	lamin	0.0055	0.0429	0.1874
Brugia malayi	intermediate filament protein	0.0055	0.0429	0.1206
Loa Loa (eye worm)	oxidoreductase	0.0028	0.0025	0.0074
Schistosoma mansoni	hypothetical protein	0.0037	0.0158	0.0615
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0028	0.0025	0.0025
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.1016	0.1016
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0072	0.0682	0.1746
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0341	0.1009
Onchocerca volvulus	Alhambra homolog	0.0029	0.0032	0.0064
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0252	0.338	1
Brugia malayi	jmjC domain containing protein	0.0035	0.0123	0.0292
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0158	0.0158
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1049	0.3052
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0623	0.1589
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0025	0.5
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1198	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0682	0.2019
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0025	0.0074
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1049	0.272
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0158	0.0158
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0044	0.0057
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0158	0.0615
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0623	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1049	0.3103
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0429	0.1271
Brugia malayi	PHD-finger family protein	0.0029	0.0032	0.0021
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0252	0.338	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0025	0.0074
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0096	0.1049	0.272
Onchocerca volvulus		0.0055	0.0429	0.3688
Brugia malayi	latrophilin 2 splice variant baaae	0.0172	0.2184	0.6435
Mycobacterium ulcerans	peptide deformylase	0.0279	0.3789	1
Onchocerca volvulus		0.0055	0.0429	0.3688
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1049	0.3052
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.1049	0.272
Schistosoma mansoni	hypothetical protein	0.008	0.0796	0.357
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0072	0.0682	0.1746
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0096	0.1049	0.272
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0201	0.0201
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0032	0.0019
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0025	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0725	0.3242
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0096	0.1049	0.272
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0414	0.1226
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0682	0.2019
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0025	0.0074
Echinococcus granulosus	lamin	0.0055	0.0429	0.0429
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0096	0.1049	0.272
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0429	0.1271
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0032	0.0032
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0682	0.2019
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.008	0.0796	0.2297
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0032	0.0095
Echinococcus multilocularis	peregrin	0.0029	0.0032	0.0032
Echinococcus multilocularis	GPCR, family 2	0.008	0.0796	0.0796
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.1049	0.272
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0028	0.0025	0.0025
Entamoeba histolytica	hypothetical protein	0.0037	0.0158	0.1297
Schistosoma mansoni	cellular tumor antigen P53	0.0101	0.1122	0.508
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2184	0.6461
Schistosoma mansoni	hypothetical protein	0.0029	0.0032	0.0032
Entamoeba histolytica	hypothetical protein	0.0037	0.0158	0.1297
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0096	0.1049	0.272

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 42 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: CHEMBL1209091

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 1125181