TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.446 | Formula: C17H31N3O4
H donors: 2 H acceptors: 4 LogP: 2.56 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=CN(C[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)C)C1CCCC1)O
InChi: 1S/C17H31N3O4/c1-17(2,3)14(16(23)19(4)5)18-15(22)13(10-20(24)11-21)12-8-6-7-9-12/h11-14,24H,6-10H2,1-5H3,(H,18,22)/t13-,14+/m0/s1
InChiKey: TUCKHWCMDLPFLN-UONOGXRCSA-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
Homo sapiens	peptide deformylase (mitochondrial)	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
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
Toxoplasma gondii	hypothetical protein	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 ulcerans	peptide deformylase	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 major	polypeptide deformylase-like protein, putative	peptide deformylase (mitochondrial)	243 aa	207 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.2678	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0103	0.2596	0.35
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.7418	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0014	0.0142	0.0262
Brugia malayi	glutathione reductase	0.0041	0.0874	0.2538
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0024	0.0413	0.1304
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Loa Loa (eye worm)	ABC transporter	0.0012	0.0074	0.0203
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0311	0.0307
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2678	1
Trichomonas vaginalis	mercuric reductase, putative	0.0014	0.0142	0.2006
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0311	0.0323
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0103	0.2596	0.0559
Leishmania major	trypanothione reductase	0.0041	0.0874	0.3075
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.001	0.0039	0.0101
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.3434	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0311	0.0894
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.7418	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0262
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Echinococcus multilocularis	ATP binding cassette sub family B	0.0012	0.0074	0.007
Schistosoma mansoni	hypothetical protein	0.0016	0.0202	0.0198
Toxoplasma gondii	hypothetical protein	0.0279	0.7418	1
Schistosoma mansoni	hypothetical protein	0.004	0.0862	0.0859
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.7418	1
Schistosoma mansoni	hypothetical protein	0.0373	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0041	0.0874	0.2538
Schistosoma mansoni	hypothetical protein	0.0373	1	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0311	0.091
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.2678	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1172	0.3405
Mycobacterium tuberculosis	Probable reductase	0.0093	0.2311	0.3115
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0311	0.6978
Brugia malayi	hypothetical protein	0.004	0.0862	0.2503
Echinococcus multilocularis	ATP binding cassette sub family B	0.0012	0.0074	0.007
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0311	0.091
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0723	0.2096
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0311	0.0419
Plasmodium falciparum	glutathione reductase	0.0041	0.0874	0.109
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1172	0.3405
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.7418	1
Toxoplasma gondii	t-complex protein beta subunit	0.0024	0.0413	0.0463
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0311	0.0232
Brugia malayi	Thioredoxin reductase	0.0041	0.0874	0.2538
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0024	0.0413	0.0463
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0093	0.2311	0.3115
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0202	0.0198
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0202	0.0198
Mycobacterium tuberculosis	Probable dehydrogenase	0.0093	0.2311	0.3115
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0014	0.0142	0.0191
Toxoplasma gondii	exonuclease III APE	0.002	0.0311	0.0323
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0138
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0012	0.0074	0.007
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0024	0.0413	0.1304
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0024	0.0413	0.1861
Entamoeba histolytica	hypothetical protein	0.004	0.0862	1
Entamoeba histolytica	hypothetical protein	0.004	0.0862	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0723	0.0719
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0024	0.0413	0.041
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0014	0.0142	0.0191
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0014	0.0142	0.0191
Echinococcus granulosus	ATP binding cassette sub family B	0.0012	0.0074	0.007
Mycobacterium ulcerans	peptide deformylase	0.0279	0.7418	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0014	0.0142	0.0262
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0014	0.0142	0.0262
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2678	1
Plasmodium vivax	thioredoxin reductase, putative	0.0041	0.0874	0.109
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2678	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0041	0.0874	0.1179
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0413	0.041
Echinococcus granulosus	ATP binding cassette sub family B	0.0012	0.0071	0.0067
Echinococcus multilocularis	geminin	0.0373	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0862	0.0859
Toxoplasma gondii	thioredoxin reductase	0.0041	0.0874	0.109
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0014	0.0142	0.0402
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.2678	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2678	1
Plasmodium vivax	glutathione reductase, putative	0.0041	0.0874	0.109
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0413	0.041
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0723	0.2096
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0311	0.0419
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0014	0.0142	0.0093
Schistosoma mansoni	hypothetical protein	0.0016	0.0202	0.0198
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0024	0.0413	0.041
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Plasmodium falciparum	thioredoxin reductase	0.0041	0.0874	0.109
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0024	0.0413	1
Loa Loa (eye worm)	T-complex protein 1	0.0024	0.0413	0.1194
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0862	0.0859
Trypanosoma cruzi	trypanothione reductase, putative	0.0041	0.0874	0.3075
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0014	0.0142	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0202	0.0578
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0093	0.2311	0.3115
Toxoplasma gondii	NADPH-glutathione reductase	0.0014	0.0142	0.0093
Brugia malayi	T-complex protein 1, beta subunit	0.0024	0.0413	0.1194
Trypanosoma brucei	trypanothione reductase	0.0041	0.0874	0.3075
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0138
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0311	0.091
Chlamydia trachomatis	peptide deformylase	0.0279	0.7418	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.3434	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0311	0.622
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0093	0.2311	0.3115
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0202	0.0578
Echinococcus granulosus	thioredoxin glutathione reductase	0.0041	0.0889	0.0886
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0202	0.0578
Brugia malayi	MH2 domain containing protein	0.0134	0.3434	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0014	0.0142	0.0262
Trichomonas vaginalis	chaperonin, putative	0.0024	0.0413	1
Entamoeba histolytica	hypothetical protein	0.004	0.0862	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0138
Brugia malayi	T-complex protein 1, beta subunit	0.0024	0.0413	0.1194
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0202	0.0578
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0014	0.0142	0.0093
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0262
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0014	0.0142	0.0262
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0413	0.041
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1172	0.3405
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.001	0.0039	0.0101
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0311	0.091
Entamoeba histolytica	hypothetical protein	0.004	0.0862	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0014	0.0142	0.0093
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0024	0.0413	0.0463
Schistosoma mansoni	hypothetical protein	0.0016	0.0202	0.0198
Plasmodium falciparum	glutathione reductase	0.0014	0.0142	0.0093
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0862	0.0859
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0311	0.0232
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0311	0.6978
Plasmodium falciparum	peptide deformylase	0.0279	0.7418	1
Leishmania major	T-complex protein 1, beta subunit, putative	0.0024	0.0413	0.1304
Trypanosoma cruzi	trypanothione reductase, putative	0.0014	0.0142	0.0262
Schistosoma mansoni	ap endonuclease	0.002	0.0311	0.0307
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0311	0.0323
Echinococcus multilocularis	ATP binding cassette sub family B	0.0138	0.3555	0.3552
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0103	0.2596	0.35
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0202	0.0198
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0093	0.2311	0.3115
Schistosoma mansoni	ap endonuclease	0.002	0.0311	0.0307
Loa Loa (eye worm)	glutathione reductase	0.0041	0.0874	0.2538
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Echinococcus multilocularis	ATP binding cassette sub family B	0.0138	0.3555	0.3552
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0311	0.0894
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0202	0.0198
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0014	0.0142	0.0093
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0024	0.0413	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0103	0.2596	0.35
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0311	0.0307
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0041	0.0889	0.0886
Trichomonas vaginalis	glutathione reductase, putative	0.0014	0.0142	0.2006
Plasmodium falciparum	thioredoxin reductase	0.0014	0.0142	0.0093
Schistosoma mansoni	hypothetical protein	0.0016	0.0202	0.0198
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1172	0.3405
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0014	0.0142	0.0093
Brugia malayi	ABC transporter	0.0012	0.0074	0.0203
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0014	0.0142	0.0191
Plasmodium vivax	peptide deformylase, putative	0.0279	0.7418	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0142	0.0262
Echinococcus granulosus	GPCR family 2	0.0016	0.0202	0.0198
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0202	0.0198

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 nM	Inhibition against Escherichia coli peptide deformylase	ChEMBL.	12873499
IC50 (binding)	= 20 nM	Inhibition against Escherichia coli peptide deformylase	ChEMBL.	12873499
MIC (functional)	> 200 uM	Antibacterial activity against Escherichia coli	ChEMBL.	12873499
MIC (functional)	> 200 uM	Antibacterial activity against Staphylococcus capitis	ChEMBL.	12873499
MIC (functional)	> 200 uM	Antibacterial activity against Escherichia coli	ChEMBL.	12873499

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: CHEMBL328502

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 149582