TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.488 | Formula: C24H28N2O7
H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)N1c2c(OC)cccc2[C@]23[C@@]41CC[C@]15[C@H]([C@@]4(O)C(=O)OC)O[C@@H](N([C@H]31)CC2)CC5
InChi: 1S/C24H28N2O7/c1-30-14-6-4-5-13-16(14)26(20(28)32-3)23-10-9-21-8-7-15(25-12-11-22(13,23)17(21)25)33-18(21)24(23,29)19(27)31-2/h4-6,15,17-18,29H,7-12H2,1-3H3/t15-,17+,18-,21+,22-,23+,24-/m1/s1
InChiKey: XDZRCLAQKUZPLQ-CRCIRZBTSA-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
Loa Loa (eye worm)	hypothetical protein	0.0469	0.0798	0.0661
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus granulosus	neuropeptide s receptor	0.0471	0.0802	0.0732
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Onchocerca volvulus		0.022	0.0282	0.0377
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.1626	0.3192	0.2995
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.1626	0.3192	0.3091
Echinococcus granulosus	ectonucleotide	0.0396	0.0645	0.0575
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.023	0.0302	0.0229
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.023	0.0302	0.0229
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	protein tyrosine phosphatase	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Leishmania major	endonuclease G, putative	0.0282	0.041	0.2205
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.1013	0.1924	0.1804
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.022	0.0282	0.0208
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Onchocerca volvulus		0.022	0.0282	0.0377
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.023	0.0302	0.0302
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.022	0.0282	0.0282
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.022	0.0282	0.0282
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.023	0.0302	0.0229
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.1626	0.3192	0.5
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.022	0.0282	0.0282
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0282	0.041	0.2205
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0501	0.0864	0.2
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.022	0.0282	0.0208
Echinococcus multilocularis	Endonuclease G	0.0282	0.041	0.0338
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0501	0.0864	1
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0282	0.041	0.2205
Trypanosoma brucei	endonuclease G, putative	0.0282	0.041	0.2205
Onchocerca volvulus		0.022	0.0282	0.0377
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0282	0.041	0.5
Brugia malayi	Thrombospondin type 1 domain containing protein	0.1013	0.1924	0.169
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.022	0.0282	0.0137
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0645	0.0506
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.1013	0.1924	0.5808
Onchocerca volvulus		0.022	0.0282	0.0377
Schistosoma mansoni	endonuclease related	0.0282	0.041	0.041
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.022	0.0282	0.0208
Schistosoma mansoni	hypothetical protein	0.1013	0.1924	0.1924
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Schistosoma mansoni	hypothetical protein	0.0173	0.0184	0.0184
Schistosoma mansoni	hypothetical protein	0.0173	0.0184	0.0184
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus multilocularis	hypothetical protein	0.022	0.0282	0.0208
Leishmania major	hypothetical protein, conserved	0.0501	0.0864	1
Echinococcus granulosus	protein tyrosine phosphatase n9	0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0469	0.0798	0.0661
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1626	0.3192	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.023	0.0302	0.0229
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Trypanosoma cruzi	hypothetical protein, conserved	0.0501	0.0864	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0469	0.0798	0.0798
Schistosoma mansoni	pcd6 interacting protein-related	0.022	0.0282	0.0282
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.4914	1	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.023	0.0302	0.0302
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.022	0.0282	0.0377
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1626	0.3192	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1626	0.3192	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.4914	1	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0501	0.0864	0.2
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Echinococcus multilocularis	ectonucleotide	0.0396	0.0645	0.0575
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.022	0.0282	0.0208
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.022	0.0282	0.0137
Schistosoma mansoni	protein tyrosine phosphatase	0.022	0.0282	0.0282
Onchocerca volvulus		0.022	0.0282	0.0377
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.023	0.0302	0.0302
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.023	0.0302	0.0229
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.022	0.0282	0.0208
Echinococcus granulosus	neuropeptide receptor A26	0.0471	0.0802	0.0732
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1626	0.3192	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0396	0.0645	0.0575
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Echinococcus granulosus	Endonuclease G	0.0282	0.041	0.0338
Trypanosoma brucei	endonuclease G, putative	0.0282	0.041	0.2205
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus multilocularis	geminin	0.0173	0.0184	0.011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.022	0.0282	0.0377
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.022	0.0282	0.0282
Brugia malayi	endonuclease G, mitochondrial precursor	0.0282	0.041	0.0132
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.022	0.0282	0.0208
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.022	0.0282	0.0208
Trypanosoma cruzi	hypothetical protein, conserved	0.0501	0.0864	1
Echinococcus multilocularis	neuropeptide s receptor	0.0471	0.0802	0.0732
Onchocerca volvulus	4.1 G protein, putative homolog	0.022	0.0282	0.0377
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.022	0.0282	0.0282
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.022	0.0282	0.0282
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.023	0.0302	0.0229
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.023	0.0302	0.0229
Onchocerca volvulus		0.1626	0.3192	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Schistosoma mansoni	lipoxygenase	0.012	0.0075	0.0075
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0469	0.0798	0.0531
Onchocerca volvulus		0.0469	0.0798	0.2085
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Brugia malayi	Protein-tyrosine phosphatase	0.0385	0.0623	0.0351
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1626	0.3192	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0471	0.0802	0.0732
Echinococcus granulosus	geminin	0.0173	0.0184	0.011
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.4914	1	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0396	0.0645	0.0575
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0469	0.0798	0.0798
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Schistosoma mansoni	protein tyrosine phosphatase	0.022	0.0282	0.0282
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.1125	0.2154	0.5
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1626	0.3192	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.022	0.0282	0.0282
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.022	0.0282	0.0377
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.022	0.0282	0.0208
Onchocerca volvulus		0.022	0.0282	0.0377
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.022	0.0282	0.0282
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.022	0.0282	0.0282
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.023	0.0302	0.0158
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0375	0.0602	0.0462
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0282	0.041	0.2205
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.023	0.0302	0.0302
Trypanosoma cruzi	endonuclease G, putative	0.0282	0.041	0.2205
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Onchocerca volvulus		0.0469	0.0798	0.2085
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.1626	0.3192	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.022	0.0282	0.0208
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0469	0.0798	0.0798
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.023	0.0302	0.0302
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.4914	1	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.022	0.0282	0.0208
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0826	0.1537	0.1473
Trypanosoma cruzi	endonuclease G, putative	0.0282	0.041	0.2205
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0469	0.0798	0.0729
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.022	0.0282	0.0208
Trypanosoma brucei	endonuclease G, putative	0.0282	0.041	0.2205
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Echinococcus multilocularis		0.022	0.0282	0.0208
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Onchocerca volvulus		0.022	0.0282	0.0377
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.023	0.0302	0.0229
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.022	0.0282	0.0137
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.023	0.0302	0.0229
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1626	0.3192	1
Schistosoma mansoni	protein tyrosine phosphatase	0.023	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0469	0.0798	0.0661
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.023	0.0302	0.0229
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.022	0.0282	0.0137
Loa Loa (eye worm)	hypothetical protein	0.022	0.0282	0.0137
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1626	0.3192	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.022	0.0282	0.0208
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0469	0.0798	0.0798

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: CHEMBL472220

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 976959