TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.524 | Formula: C20H36N4O4
H donors: 3 H acceptors: 4 LogP: 2.37 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CN(C(=O)[C@H](C(C)(C)C)NC(=O)N1CCCCC1)CC1CCCC1
InChi: 1S/C20H36N4O4/c1-20(2,3)17(21-19(27)23-11-7-4-8-12-23)18(26)24(14-16(25)22-28)13-15-9-5-6-10-15/h15,17,28H,4-14H2,1-3H3,(H,21,27)(H,22,25)/t17-/m1/s1
InChiKey: HQWMLSSWYZIULR-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
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
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 vivax	peptide 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
Plasmodium yoelii	polypeptide 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 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
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
Toxoplasma gondii	hypothetical protein	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
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.0957	0.2668
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0358	0.0373
Schistosoma mansoni	microtubule-associated protein tau	0.067	0.8492	1
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1248	1
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.1519	0.8996
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.1248	1
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0352	0.0901
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0412	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1248	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0367	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.3466	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.0957	0.2668
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1248	1
Brugia malayi	TAR-binding protein	0.0127	0.1519	0.8996
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.1689	0.1652
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0451	0.0739
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.3466	1
Loa Loa (eye worm)	acetyltransferase	0.0141	0.1689	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0352	0.256
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0412	0.1076
Mycobacterium ulcerans	peptide deformylase	0.0279	0.3466	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0451	0.0482
Chlamydia trachomatis	peptide deformylase	0.0279	0.3466	1
Echinococcus granulosus	microtubule associated protein 2	0.067	0.8492	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0451	0.0482
Plasmodium falciparum	glutathione reductase	0.0037	0.0352	0.0901
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0451	0.0409
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.1248	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0451	0.0409
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1519	0.1747
Toxoplasma gondii	hypothetical protein	0.0279	0.3466	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0451	0.0482
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.1638	0.1887
Echinococcus granulosus	tar DNA binding protein	0.0127	0.1519	0.1747
Brugia malayi	RNA binding protein	0.0127	0.1519	0.8996
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.3466	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.0043	0.0257
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0451	0.0482
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.1077	0.3019
Brugia malayi	glutathione reductase	0.0037	0.0352	0.2084
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1519	0.1747
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0352	0.0901
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1519	0.1747
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1519	0.1747
Mycobacterium tuberculosis	Probable reductase	0.0084	0.0957	0.2668
Loa Loa (eye worm)	RNA binding protein	0.0127	0.1519	0.8732
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.1077	0.0479
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0451	0.0482
Leishmania major	trypanothione reductase	0.0037	0.0352	0.256
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.1077	0.3019
Echinococcus multilocularis	microtubule associated protein 2	0.067	0.8492	0.8486
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0412	0.1076
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.0957	0.2668
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.1519	0.8732
Trypanosoma brucei	trypanothione reductase	0.0037	0.0352	0.256
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1519	0.1747
Plasmodium falciparum	peptide deformylase	0.0279	0.3466	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.0957	0.2668
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0367	0.0947
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0412	0.1076
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.1077	0.3019
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0367	0.5
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0412	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.1689	1
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0352	0.0901
Plasmodium vivax	peptide deformylase, putative	0.0279	0.3466	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0412	0.0436
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1248	1
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.3466	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.1689	0.1947
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.1519	0.8732
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0352	0.0901
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.1248	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0352	0.0901
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0451	0.2669
Brugia malayi	Thioredoxin reductase	0.0037	0.0352	0.2084
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0358	0.0316
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.0957	0.2668
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.1519	0.1482

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 47 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: CHEMBL1209041

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1122283