TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 183.1 | Formula: C4H10NO5P
H donors: 4 H acceptors: 5 LogP: -4.19 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CNC(P(=O)(O)O)C
InChi: 1S/C4H10NO5P/c1-3(11(8,9)10)5-2-4(6)7/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)
InChiKey: JHBFOISHSQMPPH-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	Eye-specific diacylglycerol kinase	0.0041	0.0119	0.0296
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.0315	0.0315
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0041	0.0119	1
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0041	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0442	0.4035	0.4035
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0205	0.0508
Echinococcus granulosus	Diacylglycerol kinase theta	0.0041	0.0119	0.0119
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0041	0.0119	0.0119
Brugia malayi	diacylglycerol kinase	0.0041	0.0119	0.0296
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0041	0.0119	0.0119
Leishmania major	diacylglycerol kinase, putative	0.0041	0.0119	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0041	0.0119	0.0119
Trypanosoma cruzi	Sphingosine kinase	0.0041	0.0119	1
Toxoplasma gondii	diacylglycerol kinase, putative	0.0041	0.0119	1
Leishmania major	sphingosine kinase A, B, putative	0.0041	0.0119	1
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0041	0.0119	0.0119
Loa Loa (eye worm)	runx1	0.0055	0.026	0.026
Brugia malayi	RNA, U transporter 1	0.0082	0.0518	0.1284
Mycobacterium ulcerans	diacylglycerol kinase	0.0041	0.0119	0.0118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0001	0.0001
Loa Loa (eye worm)	ceramide kinase	0.0041	0.0119	0.0119
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0041	0.0119	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0505	0.4653	0.4653
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0001	0.0001
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0001	0.0108
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0041	0.0119	1
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0041	0.0119	1
Schistosoma mansoni	sphingosine kinase A B	0.1053	1	1
Trypanosoma brucei	diacylglycerol kinase, putative	0.0041	0.0119	1
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0041	0.0119	0.0119
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0041	0.0119	0.0119
Mycobacterium ulcerans	hypothetical protein	0.1053	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.2718	0.2718
Trichomonas vaginalis	sphingosine kinase, putative	0.0041	0.0119	0.5
Plasmodium falciparum	diacylglycerol kinase, putative	0.0041	0.0119	1
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0041	0.0119	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0041	0.0119	0.5
Loa Loa (eye worm)	hypothetical protein	0.0442	0.4035	0.4035
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0041	0.0119	0.0119
Trypanosoma cruzi	Sphingosine kinase	0.0041	0.0119	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0119	0.0119
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0119	1
Echinococcus multilocularis	sphingosine kinase 1	0.1053	1	1
Echinococcus multilocularis	Protein lozenge	0.0055	0.026	0.026
Plasmodium vivax	diacylglycerol kinase, putative	0.0041	0.0119	1
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0001	0.0003
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0041	0.0119	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0119	0.5
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0041	0.0119	0.0119
Echinococcus granulosus	ceramide kinase	0.0041	0.0119	0.0119
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0041	0.0119	0.5
Leishmania major	hypothetical protein, conserved	0.0041	0.0119	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0119	0.0119
Trichomonas vaginalis	sphingosine kinase, putative	0.0041	0.0119	0.5
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0041	0.0119	1
Onchocerca volvulus		0.0442	0.4035	1
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0041	0.0119	0.0119
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0205	0.0205
Brugia malayi	hypothetical protein	0.0041	0.0119	0.0296
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0041	0.0119	0.5
Trypanosoma brucei	Sphingosine kinase	0.0041	0.0119	1
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0001	0.0003
Brugia malayi	Ceramide kinase	0.0041	0.0119	0.0296
Mycobacterium tuberculosis	Conserved protein	0.1053	1	1
Brugia malayi	diacylglycerol kinase	0.0041	0.0119	0.0296
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0041	0.0119	1
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0001	0.0001
Echinococcus multilocularis	snurportin 1	0.0307	0.2718	0.2718
Echinococcus multilocularis	neuropeptide receptor A26	0.0505	0.4653	0.4653
Leishmania major	diacylglycerol kinase-like protein	0.0041	0.0119	1
Loa Loa (eye worm)	hypothetical protein	0.1053	1	1
Schistosoma mansoni	hypothetical protein	0.0307	0.2718	0.2718
Plasmodium falciparum	diacylglycerol kinase, putative	0.0041	0.0119	1
Echinococcus granulosus	neuropeptide receptor A26	0.0505	0.4653	0.4653
Entamoeba histolytica	hypothetical protein, conserved	0.1053	1	1
Leishmania major	hypothetical protein, conserved	0.0041	0.0119	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0051	0.0051
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0119	1
Echinococcus granulosus	neuropeptide s receptor	0.0505	0.4653	0.4653
Brugia malayi	hypothetical protein	0.0442	0.4035	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0119	0.0119
Schistosoma mansoni	lozenge	0.0055	0.026	0.026
Echinococcus multilocularis	ceramide kinase	0.0041	0.0119	0.0119
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0205	0.0508
Schistosoma mansoni	sphingoid long chain base kinase	0.1053	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0205
Plasmodium vivax	diacylglycerol kinase, putative	0.0041	0.0119	1
Brugia malayi	Diacylglycerol kinase protein 2	0.0041	0.0119	0.0296
Trichomonas vaginalis	bmru protein, putative	0.0041	0.0119	0.5
Trichomonas vaginalis	bmru protein, putative	0.0041	0.0119	0.5
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0041	0.0119	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0119	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0061	0.0315	0.0781
Schistosoma mansoni	hypothetical protein	0.0034	0.0051	0.0051
Echinococcus granulosus	snurportin 1	0.0307	0.2718	0.2718
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0051	0.0127
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0041	0.0119	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0041	0.0119	0.0119

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 80 uM	Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase	ChEMBL.	No reference
IC50 (binding)	> 80 uM	Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase	ChEMBL.	No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 159644