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)Nc1ccccc1OC)CC1CCCC1)O
InChi: 1S/C22H32N4O5/c1-31-20-11-5-4-10-19(20)23-22(29)26-13-7-6-12-25(26)21(28)18(15-24(30)16-27)14-17-8-2-3-9-17/h4-5,10-11,16-18,30H,2-3,6-9,12-15H2,1H3,(H,23,29)/t18-/m1/s1
InChiKey: KGUZULGGUMICIO-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
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
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
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE 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
Wolbachia endosymbiont of Brugia malayi	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
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 knowlesi	peptide deformylase, putative	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

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
Brugia malayi	DIX domain containing protein	0.0008	0.005	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Echinococcus granulosus	regulator of G protein signaling 7	0.0008	0.005	0.0346
Trichomonas vaginalis	D-aminoacylase, putative	0.0069	0.146	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0008	0.005	0.0146
Echinococcus granulosus	regulator of G protein signaling 7	0.0008	0.005	0.0346
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0028	0.0515	0.3526
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0088	0.1897	0.5506
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0008	0.005	0.0146
Brugia malayi	hypothetical protein	0.0008	0.005	0.0146
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0069	0.146	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0069	0.146	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.2317	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0008	0.005	0.0346
Plasmodium vivax	peptide deformylase, putative	0.0279	0.6276	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.146	0.6298
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0028	0.0515	0.3526
Trichomonas vaginalis	penicillin-binding protein, putative	0.0069	0.146	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.005	0.0146
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0983	0.6738
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.2317	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Plasmodium falciparum	peptide deformylase	0.0279	0.6276	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0028	0.0515	0.1494
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0028	0.0515	0.1494
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0069	0.146	0.4236
Echinococcus multilocularis	regulator of G protein signaling 7	0.0008	0.005	0.0346
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0983	0.6738
Brugia malayi	latrophilin 2 splice variant baaae	0.006	0.1257	0.3649
Brugia malayi	beta-lactamase	0.0069	0.146	0.4236
Toxoplasma gondii	ABC1 family protein	0.0069	0.146	0.2263
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2317	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Echinococcus multilocularis	segment polarity protein dishevelled	0.0008	0.005	0.0346
Onchocerca volvulus		0.0069	0.146	0.4236
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1897	0.5506
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0008	0.005	0.0346
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0008	0.005	0.0346
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0983	0.2854
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.6276	0.564
Trichomonas vaginalis	D-aminoacylase, putative	0.0069	0.146	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.146	0.6298
Schistosoma mansoni	dep domain containing protein	0.0008	0.005	0.0346
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Entamoeba histolytica	hypothetical protein	0.0005	0	0.5
Loa Loa (eye worm)	DIX domain-containing protein	0.0008	0.005	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0008	0.005	0.0346
Schistosoma mansoni	dishevelled	0.0008	0.005	0.0346
Trichomonas vaginalis	esterase, putative	0.0069	0.146	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0008	0.005	0.0346
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.1257	0.3649
Brugia malayi	N-terminal motif family protein	0.0156	0.3445	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0983	0.6738
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0156	0.3445	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0028	0.0515	0.3526
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0008	0.005	0.0146
Onchocerca volvulus		0.0008	0.005	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0156	0.3445	1
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0008	0.005	0.0346
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0983	0.6738
Echinococcus granulosus	beta LACTamase domain containing family member	0.0069	0.146	1
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.2317	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0088	0.1897	0.5506
Schistosoma mansoni	dishevelled	0.0008	0.005	0.0346
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.6276	0.5
Onchocerca volvulus		0.0069	0.146	0.4236
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2317	1
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.6276	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0983	0.2854
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0008	0.005	0.0346
Brugia malayi	beta-lactamase family protein	0.0069	0.146	0.4236
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Loa Loa (eye worm)	beta-lactamase	0.0069	0.146	0.4236
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0088	0.1897	0.5506
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0069	0.146	1
Echinococcus multilocularis	GPCR, family 2	0.0028	0.0515	0.3526
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0069	0.146	0.4236
Schistosoma mansoni	hypothetical protein	0.0028	0.0515	0.3526
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0028	0.0515	0.3526
Toxoplasma gondii	hypothetical protein	0.0279	0.6276	1
Chlamydia trachomatis	peptide deformylase	0.0279	0.6276	0.5
Schistosoma mansoni	hypothetical protein	0.006	0.1257	0.8614
Brugia malayi	regulator of G-protein signaling egl-10	0.0008	0.005	0.0146
Mycobacterium ulcerans	peptide deformylase	0.0279	0.6276	1
Onchocerca volvulus		0.0069	0.146	0.4236
Echinococcus multilocularis	segment polarity protein dishevelled	0.0008	0.005	0.0346
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2317	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0515	0.3526
Brugia malayi	hypothetical protein	0.0008	0.005	0.0146
Brugia malayi	beta-lactamase family protein	0.0069	0.146	0.4236
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0008	0.005	0.0146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0983	0.6738
Trichomonas vaginalis	D-aminoacylase, putative	0.0069	0.146	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0515	0.3526
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2317	1
Schistosoma mansoni	z-protein (S1r protein)	0.0008	0.005	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.005	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.005	0.0146
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0983	0.6738
Echinococcus granulosus	GPCR family 2	0.0028	0.0515	0.3526
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.6276	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0515	0.3526
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0515	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0069	0.146	0.4236
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0983	0.6738
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0069	0.146	1
Brugia malayi	Latrophilin receptor protein 2	0.0028	0.0515	0.1494

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 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: CHEMBL1796104

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 1018456