TDR Targets

Basic information

Technical information

TDR Targets ID: 1182024
Name: (2S)-N-(2-cyclopentylethyl)-N-[2-(hydroxyamin o)-2-oxoethyl]-2-[(2-methoxyphenyl)carbamoyla mino]-3,3-dimethylbutanamide
MW: 448.556 | Formula: C23H36N4O5
H donors: 4 H acceptors: 4 LogP: 3.6 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CN(C(=O)[C@H](C(C)(C)C)NC(=O)Nc1ccccc1OC)CCC1CCCC1
InChi: 1S/C23H36N4O5/c1-23(2,3)20(25-22(30)24-17-11-7-8-12-18(17)32-4)21(29)27(15-19(28)26-31)14-13-16-9-5-6-10-16/h7-8,11-12,16,20,31H,5-6,9-10,13-15H2,1-4H3,(H,26,28)(H2,24,25,30)/t20-/m1/s1
InChiKey: HNSGWMSGWTXUNT-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

(2S)-N-(2-cyclopentylethyl)-N-[2-(hydroxyamino)-2-oxo-ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3,3-dimethyl-butanamide
(2S)-N-(2-cyclopentylethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-2-[[[(2-methoxyphenyl)amino]-oxomethyl]amino]-3,3-dimethylbutanamide
(2S)-N-(2-cyclopentylethyl)-N-[2-(hydroxyamino)-2-keto-ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3,3-dimethyl-butyramide

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 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
Plasmodium berghei	peptide 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
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	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
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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0523	0.1035
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0146	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.015
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0046	0.0063
Schistosoma mansoni	zinc finger protein	0.0016	0.0124	0.0246
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0046	0.0032
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.071	0.1407
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0046	0.0091
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0038	0.0047
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0638	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0014	0.0023
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0146	0.0289
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0234	0.0464
Brugia malayi	RasGEF domain containing protein	0.0007	0.0014	0.0054
Brugia malayi	PHD-finger family protein	0.0028	0.0263	0.1045
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0014	0.0023
Brugia malayi	Pre-SET motif family protein	0.0032	0.0312	0.1238
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0294	0.1139
Brugia malayi	CXXC zinc finger family protein	0.003	0.0294	0.1167
Toxoplasma gondii	hypothetical protein	0.0279	0.3239	1
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0007	0.0014	0.0028
Brugia malayi	RasGEF domain containing protein	0.0007	0.0014	0.0054
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Echinococcus granulosus	dnaJ subfamily B	0.0432	0.505	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0312	0.0618
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.1196	1
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1196	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.005	0.0523	0.0509
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0638	0.1263
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0234	0.0437
Schistosoma mansoni	cpg binding protein	0.003	0.0294	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0439	0.1716
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.2193	0.8708
Loa Loa (eye worm)	hypothetical protein	0.004	0.0409	0.1599
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.1196	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0234	0.022
Loa Loa (eye worm)	hypothetical protein	0.0074	0.081	0.3194
Plasmodium falciparum	peptide deformylase	0.0279	0.3239	1
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0014	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Brugia malayi	N-terminal motif family protein	0.019	0.2193	0.8712
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0046	0.0032
Entamoeba histolytica	hypothetical protein	0.0007	0.0014	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.1196	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0146	0.0289
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0379	0.0366
Brugia malayi	N-terminal motif family protein	0.0007	0.0014	0.0054
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0046	0.0181
Schistosoma mansoni	myst-related protein	0.0006	0.0001	0.0002
Schistosoma mansoni	ras GTP exchange factor	0.0007	0.0014	0.0028
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.1196	1
Echinococcus granulosus	cpg binding protein	0.0034	0.0338	0.0643
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0014	0.0023
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0046	0.0032
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.3239	0.5
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0046	0.0181
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0046	0.0063
Brugia malayi	RasGEF domain containing protein	0.0007	0.0014	0.0054
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.2517	1
Onchocerca volvulus		0.003	0.0294	0.1022
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.3239	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.3239	0.5
Schistosoma mansoni	hypothetical protein	0.0432	0.505	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0046	0.0063
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0694	0.1349
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.006	0.009
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0312	0.0298
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0523	0.1035
Echinococcus multilocularis	dnaJ subfamily B	0.0432	0.505	0.5043
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0638	0.4796
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0046	0.0032
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1196	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.006	0.0046
Mycobacterium ulcerans	peptide deformylase	0.0279	0.3239	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0638	0.1854
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0483	0.1892
Brugia malayi	hypothetical protein	0.0009	0.0046	0.0181
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.029	0.0549
Schistosoma mansoni	zinc finger protein	0.0022	0.0197	0.0391
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0312	0.0833
Trichomonas vaginalis	helicase, putative	0.0007	0.0016	0.0008
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0038	0.0047
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0046	0.015
Chlamydia trachomatis	peptide deformylase	0.0279	0.3239	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0038	0.0024
Schistosoma mansoni	hypothetical protein	0.0016	0.0124	0.0246
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0312	0.0618
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0694	0.0681
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0046	0.0063
Onchocerca volvulus		0.0007	0.0014	0.0048
Onchocerca volvulus		0.0009	0.0046	0.0159
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0046	0.0159
Onchocerca volvulus		0.0248	0.2872	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.1196	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0007	0.0014	0.0048
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.2872	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0523	0.2051
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.015
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Brugia malayi	F/Y-rich N-terminus family protein	0.0012	0.0082	0.0323
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0046	0.0181
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0014	0.0028
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0638	0.0625
Schistosoma mansoni	dishevelled	0.0009	0.0046	0.0091
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Brugia malayi	Bromodomain containing protein	0.008	0.0883	0.3507
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0146	0.0261
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Echinococcus multilocularis	cpg binding protein	0.0034	0.0338	0.0324
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.006	0.0205
Brugia malayi	DIX domain containing protein	0.0009	0.0046	0.0181
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0046	0.0063
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.3239	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0016	0.0008
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0038	0.0075
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0014	0.0023
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0046	0.0032
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0016	0.0008
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0046	0.0091
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0124	0.0931
Echinococcus granulosus	histone lysine methyltransferase setb	0.005	0.0523	0.101
Echinococcus multilocularis	zinc finger protein	0.0022	0.0197	0.0184
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0014	0.0023
Schistosoma mansoni	dep domain containing protein	0.0009	0.0046	0.0091
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0658	0.1917
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0124	0.0931
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.019	0.0725
Schistosoma mansoni	cpg binding protein	0.0034	0.0338	0.067
Brugia malayi	Bromodomain containing protein	0.004	0.0409	0.1622
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.015
Plasmodium vivax	peptide deformylase, putative	0.0279	0.3239	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.019	0.2193	0.7633
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0038	0.0024
Schistosoma mansoni	cpg binding protein	0.0034	0.0338	0.067
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Brugia malayi	hypothetical protein	0.0009	0.0046	0.0181
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0379	0.0725
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0014	0.0028
Brugia malayi	Pre-SET motif family protein	0.0218	0.2517	1
Schistosoma mansoni	bromodomain containing protein	0.0006	0.0008	0.0016
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0738	0.1461
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0046	0.0091
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0016	0.0008
Onchocerca volvulus		0.0032	0.0312	0.1085
Schistosoma mansoni	hypothetical protein	0.0022	0.019	0.0376
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0006	0.001	0.002
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Brugia malayi	N-terminal motif family protein	0.0007	0.0014	0.0054
Echinococcus granulosus	zinc finger protein	0.0022	0.0197	0.0364
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0153	0.0578
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0016	0.0008
Schistosoma mansoni	dishevelled	0.0009	0.0046	0.0091
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0046	0.015
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0638	0.1263
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0014	1
Schistosoma mansoni	myst-related protein	0.0006	0.0001	0.0002

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 31 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: CHEMBL1209867

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 1182024