TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 432.513 | Formula: C22H32N4O5
H donors: 2 H acceptors: 4 LogP: 3.35 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=CN(C[C@H](C(=O)N1CCCCN1C(=O)Nc1cccc(c1)OC)CC1CCCC1)O
InChi: 1S/C22H32N4O5/c1-31-20-10-6-9-19(14-20)23-22(29)26-12-5-4-11-25(26)21(28)18(15-24(30)16-27)13-17-7-2-3-8-17/h6,9-10,14,16-18,30H,2-5,7-8,11-13,15H2,1H3,(H,23,29)/t18-/m1/s1
InChiKey: ADDUSXGIWKFTBR-GOSISDBHSA-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
Escherichia coli	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
Plasmodium knowlesi	peptide deformylase, putative	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
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
Plasmodium yoelii	polypeptide deformylase, putative	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
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
Mycobacterium ulcerans	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
Treponema pallidum	polypeptide deformylase (def)	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0556	0.0282
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	1	1
Loa Loa (eye worm)	TAR-binding protein	0.007	0.2172	0.2123
Brugia malayi	Pre-SET motif family protein	0.023	0.8168	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1443	0.1165
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0784	0.0517
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.3536	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.3536	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1443	0.2289
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0556	0.0841
Echinococcus granulosus	thioredoxin glutathione reductase	0.0056	0.1666	0.3216
Brugia malayi	TAR-binding protein	0.007	0.2172	0.258
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.116	0.2239
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.111	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0784	0.1469
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0784	0.1245
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1443	0.2785
Loa Loa (eye worm)	glutathione reductase	0.0056	0.1666	0.1458
Brugia malayi	Thioredoxin reductase	0.0056	0.1666	0.1954
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.1252	0.0998
Loa Loa (eye worm)	RNA binding protein	0.007	0.2172	0.2123
Leishmania major	hypothetical protein, conserved	0.0027	0.0556	0.0841
Plasmodium vivax	peptide deformylase, putative	0.0279	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.116	0.184
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0784	0.1515
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0556	0.0841
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2172	0.3446
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0556	0.0841
Plasmodium falciparum	thioredoxin reductase	0.0056	0.1666	0.1424
Mycobacterium tuberculosis	Probable reductase	0.0129	0.4379	0.4216
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0784	0.1469
Entamoeba histolytica	hypothetical protein	0.0043	0.116	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0129	0.4379	0.4216
Trypanosoma cruzi	trypanothione reductase, putative	0.0056	0.1666	0.4253
Schistosoma mansoni	hypothetical protein	0.0043	0.116	0.184
Brugia malayi	hypothetical protein	0.0027	0.0556	0.058
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0143	0.4918	0.0959
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0056	0.1666	0.1424
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.111	0.0852
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1443	0.2785
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0784	0.1245
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2172	0.3446
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.2172	0.2123
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0129	0.4379	0.4216
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.1252	0.0998
Plasmodium vivax	SET domain protein, putative	0.0033	0.0784	0.0517
Plasmodium vivax	thioredoxin reductase, putative	0.0056	0.1666	0.1424
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.3536	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0143	0.4918	0.4771
Mycobacterium ulcerans	peptide deformylase	0.0279	1	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0129	0.4379	0.4216
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.3536	1
Plasmodium vivax	glutathione reductase, putative	0.0056	0.1666	0.1424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0784	0.1245
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.1252	0.2417
Onchocerca volvulus		0.0262	0.9359	1
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.3536	1
Treponema pallidum	polypeptide deformylase (def)	0.0279	1	1
Plasmodium falciparum	peptide deformylase	0.0279	1	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.023	0.8168	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0544
Brugia malayi	glutathione reductase	0.0056	0.1666	0.1954
Trypanosoma brucei	trypanothione reductase	0.0056	0.1666	0.4253
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0784	0.1245
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0784	0.0301
Echinococcus granulosus	tar DNA binding protein	0.007	0.2172	0.4193
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2172	0.3446
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1443	0.2701
Leishmania major	trypanothione reductase	0.0056	0.1666	0.4253
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2172	0.3446
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.2172	0.258
Brugia malayi	acetyltransferase, GNAT family protein	0.0155	0.5342	0.6503
Brugia malayi	Pre-SET motif family protein	0.0033	0.0784	0.0863
Entamoeba histolytica	hypothetical protein	0.0043	0.116	1
Entamoeba histolytica	hypothetical protein	0.0043	0.116	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0528
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0556	0.0282
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0056	0.1666	0.3119
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0155	0.5342	0.8476
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0739	0.1427
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0556	0.0282
Entamoeba histolytica	hypothetical protein	0.0043	0.116	1
Brugia malayi	hypothetical protein	0.0043	0.116	0.1327
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0447
Loa Loa (eye worm)	thioredoxin reductase	0.0056	0.1666	0.1458
Toxoplasma gondii	thioredoxin reductase	0.0056	0.1666	0.1424
Mycobacterium tuberculosis	Probable oxidoreductase	0.0143	0.4918	0.4771
Trichomonas vaginalis	set domain proteins, putative	0.0262	0.9359	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.1252	0.1069
Echinococcus multilocularis	tar DNA binding protein	0.007	0.2172	0.4066
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0155	0.5342	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1443	0.2701
Plasmodium falciparum	glutathione reductase	0.0056	0.1666	0.1424
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2172	0.3446
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.3536	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.1252	0.1069
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1443	0.2289
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.116	0.2171
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.002	0.0282	0.0241
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0143	0.4918	0.4771
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0129	0.4379	0.4216
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0556	0.0282
Echinococcus granulosus	histone acetyltransferase KAT2B	0.015	0.5179	1
Brugia malayi	RNA binding protein	0.007	0.2172	0.258
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1443	0.1677
Loa Loa (eye worm)	acetyltransferase	0.0155	0.5342	0.6287
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.1252	0.0998
Brugia malayi	hypothetical protein	0.0017	0.0199	0.0138
Toxoplasma gondii	hypothetical protein	0.0279	1	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0129	0.4379	0.4216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1443	0.2289
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.3536	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 nM	Inhibition of Escherichia coli nickel containing peptide deformylase	ChEMBL.	21621999

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: CHEMBL1796106

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 1020256