TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.248 | Formula: C12H17N2O5P
H donors: 4 H acceptors: 5 LogP: -3.86 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: NCC(=O)NC(P(=O)(CCC(=O)O)O)c1ccccc1
InChi: 1S/C12H17N2O5P/c13-8-10(15)14-12(9-4-2-1-3-5-9)20(18,19)7-6-11(16)17/h1-5,12H,6-8,13H2,(H,14,15)(H,16,17)(H,18,19)
InChiKey: WAPBAOPAYHIUPZ-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
Loa Loa (eye worm)	RNA binding protein	0.0131	0.3874	0.3768
Schistosoma mansoni	hypothetical protein	0.0172	0.5254	0.5172
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0306	0.5234
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.3874	1
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.0587	0.1517
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.017	0.0438
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.0587	0.0425
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2717	0.2592
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0587	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0244	0.1773
Brugia malayi	RNA binding protein	0.0131	0.3874	1
Echinococcus granulosus	expressed protein	0.0034	0.0587	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0431	0.0266
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0244	0.1895
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0244	0.1895
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0306	0.5234
Brugia malayi	TAR-binding protein	0.0131	0.3874	1
Plasmodium falciparum	importin beta, putative	0.0029	0.0431	1
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0244	0.1773
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0244	0.1773
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3874	0.3768
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0431	0.6682
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.0561	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0431	1
Schistosoma mansoni	hypothetical protein	0.0172	0.5254	0.5172
Entamoeba histolytica	hypothetical protein	0.0024	0.0244	0.1895
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2717	0.2592
Brugia malayi	Importin beta-1 subunit	0.0029	0.0431	0.1112
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3874	0.3768
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2717	0.2592
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0431	0.6682
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0431	0.6682
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0306	0.3497
Schistosoma mansoni	importin beta-1	0.0029	0.0431	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0306	0.0139
Schistosoma mansoni	rotamase	0.0034	0.0587	0.0425
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.3874	0.3768
Echinococcus multilocularis	expressed protein	0.0034	0.0587	0.0425
Echinococcus granulosus	geminin	0.0172	0.5254	0.5172
Schistosoma mansoni	hypothetical protein	0.0312	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0306	0.3497
Echinococcus multilocularis	snurportin 1	0.0312	1	1
Echinococcus granulosus	tar DNA binding protein	0.0131	0.3874	0.3768
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.3874	0.3768
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.0561	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0561	1
Brugia malayi	hypothetical protein	0.0026	0.0306	0.0791
Leishmania major	hypothetical protein, conserved	0.0026	0.0306	0.3497
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0561	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0561	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3874	0.3768
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.3874	0.3768
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0306	0.3497
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0431	0.0266
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3874	0.3768
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0033	0.0561	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.3874	0.3768
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.2717	0.2592
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.2717	0.7015
Trichomonas vaginalis	rotamase, putative	0.0034	0.0587	1
Brugia malayi	RNA, U transporter 1	0.0083	0.2254	0.582
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2717	0.2592
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0306	0.3497
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0312	1	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.017	0.5
Echinococcus multilocularis	geminin	0.0172	0.5254	0.5172
Trichomonas vaginalis	rotamase, putative	0.0033	0.0561	0.9354
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0431	0.0266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2717	0.2592
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2717	0.2592
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2717	0.2592
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0306	0.5234

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: CHEMBL1194840

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1153168