TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.481 | Formula: C22H27N5O4
H donors: 1 H acceptors: 4 LogP: 4.05 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1nc(NCCCn2c3CCCCc3c3c2ccc(c3)C(=O)OC)nc(n1)OC
InChi: 1S/C22H27N5O4/c1-29-19(28)14-9-10-18-16(13-14)15-7-4-5-8-17(15)27(18)12-6-11-23-20-24-21(30-2)26-22(25-20)31-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,23,24,25,26)
InChiKey: XUSSDKOPUWHIMS-UHFFFAOYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Brugia malayi	hypothetical protein	0.0136	0.0354	0.0354
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Brugia malayi	hypothetical protein	0.0136	0.0354	0.0354
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0221	0.0936	0.1418
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0136	0.0354	0.0537
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0347	0.1797	0.1908
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0221	0.0936	0.0994
Onchocerca volvulus		0.0136	0.0354	0.0391
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.1046	0.6601	0.6601
Onchocerca volvulus	4.1 G protein, putative homolog	0.0136	0.0354	0.0391
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Onchocerca volvulus		0.0136	0.0354	0.0391
Schistosoma mansoni	protein tyrosine phosphatase	0.0136	0.0354	0.0537
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0136	0.0354	0.0537
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1046	0.6601	0.7008
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0347	0.1797	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Brugia malayi	Protein-tyrosine phosphatase 1	0.0136	0.0354	0.0354
Trichomonas vaginalis	pten, drome, putative	0.0136	0.0354	0.1232
Schistosoma mansoni	hypothetical protein	0.0324	0.1643	0.2489
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0136	0.0354	0.0537
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.0936	0.1418
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0347	0.1797	1
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0136	0.0354	0.0376
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.006	0.0091
Echinococcus granulosus	snurportin 1	0.0324	0.1643	0.2489
Onchocerca volvulus		0.0136	0.0354	0.0391
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0221	0.0936	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Brugia malayi	hypothetical protein	0.0136	0.0354	0.0354
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0221	0.0936	0.1418
Onchocerca volvulus		0.0136	0.0354	0.0391
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0347	0.1797	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0221	0.0936	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0136	0.0354	0.0537
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0347	0.1797	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Brugia malayi	Protein-tyrosine phosphatase	0.0136	0.0354	0.0354
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0136	0.0354	0.0376
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0136	0.0354	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0136	0.0354	0.0537
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0221	0.0936	0.1418
Onchocerca volvulus		0.0136	0.0354	0.0391
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0136	0.0354	0.0354
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0347	0.1797	0.1797
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Onchocerca volvulus		0.0136	0.0354	0.0391
Onchocerca volvulus		0.0136	0.0354	0.0391
Echinococcus multilocularis		0.0136	0.0354	0.0537
Onchocerca volvulus		0.0136	0.0354	0.0391
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.006	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0347	0.1797	1
Brugia malayi	RNA, U transporter 1	0.0086	0.0011	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.006	0.0091
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0136	0.0354	0.0537
Leishmania major	tyrosine specific protein phosphatase, putative	0.0136	0.0354	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Onchocerca volvulus		0.0136	0.0354	0.0391
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.006	0.0091
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0347	0.1797	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Schistosoma mansoni	pcd6 interacting protein-related	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0136	0.0354	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0221	0.0936	0.1418
Brugia malayi	hypothetical protein	0.0136	0.0354	0.0354
Onchocerca volvulus		0.0136	0.0354	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0136	0.0354	0.0537
Onchocerca volvulus		0.0136	0.0354	0.0391
Leishmania major	hypothetical protein, conserved	0.0107	0.0151	0.4277
Schistosoma mansoni	protein tyrosine phosphatase	0.0136	0.0354	0.0537
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0136	0.0354	0.0537
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.0936	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0221	0.0936	0.1418
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0221	0.0936	0.1418
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0136	0.0354	0.0537
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0221	0.0936	0.1418
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.006	0.0091
Onchocerca volvulus		0.0136	0.0354	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0347	0.1797	1
Onchocerca volvulus		0.0347	0.1797	0.1982
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.1321	0.8482	0.9006
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Schistosoma mansoni	protein tyrosine phosphatase	0.0221	0.0936	0.1418
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.006	0.0091
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0136	0.0354	0.0537
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0136	0.0354	0.0537
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Brugia malayi	hypothetical protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Onchocerca volvulus		0.1405	0.9064	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Onchocerca volvulus		0.0136	0.0354	0.0391
Onchocerca volvulus		0.0136	0.0354	0.0391
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Onchocerca volvulus		0.0136	0.0354	0.0391
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.0936	0.1418
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.0936	0.1418
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1046	0.6601	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Loa Loa (eye worm)	hypothetical protein	0.1321	0.8482	0.9006
Loa Loa (eye worm)	hypothetical protein	0.1321	0.8482	0.9006
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0136	0.0354	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0347	0.1797	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0136	0.0354	0.0537
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1046	0.6601	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.006	0.0091
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0136	0.0354	1
Echinococcus multilocularis	hypothetical protein	0.0136	0.0354	0.0537
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0151	0.4277
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0136	0.0354	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0107	0.0151	0.4277
Loa Loa (eye worm)	hypothetical protein	0.1457	0.9418	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0221	0.0936	0.1418
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0136	0.0354	0.0537
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0136	0.0354	0.0537
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.006	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus multilocularis	snurportin 1	0.0324	0.1643	0.2489
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0136	0.0354	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.0936	0.1418
Onchocerca volvulus		0.0136	0.0354	0.0391
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0151	0.4277
Onchocerca volvulus		0.0136	0.0354	0.0391
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Onchocerca volvulus		0.0136	0.0354	0.0391
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0136	0.0354	0.0537
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0136	0.0354	0.0537
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0324	0.1643	0.1744
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0136	0.0354	0.0354
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0136	0.0354	0.0354
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0136	0.0354	0.0376
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0136	0.0354	0.0537
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0347	0.1797	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0136	0.0354	0.0537
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0347	0.1797	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.006	0.006
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0136	0.0354	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0354	0.0376
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0136	0.0354	0.0537
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1046	0.6601	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.024	0.1064	0.5

Activities

No activities found for this compound.

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: CHEMBL1914879

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 1563490