TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 256.172 | Formula: C10H11NO5P---
H donors: 0 H acceptors: 5 LogP: -0.82 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: [O-]N(C(=O)c1ccccc1)CCCP(=O)([O-])[O-]
InChi: 1S/C10H13NO5P/c12-10(9-5-2-1-3-6-9)11(13)7-4-8-17(14,15)16/h1-3,5-6H,4,7-8H2,(H2,14,15,16)/q-1/p-2
InChiKey: BIERGWDZPXGGBN-UHFFFAOYSA-L

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0021	0.005	0.0503
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0022	0.0066	0.087
Mycobacterium ulcerans	beta-lactamase	0.0026	0.0102	0.0075
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0026	0.0102	0.0075
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0334	0.2483
Brugia malayi	Membrane calcium atpase protein 3	0.0022	0.0066	0.0493
Toxoplasma gondii	exonuclease III APE	0.0019	0.0028	0.0008
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0028	0.0049
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0028	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Echinococcus granulosus	beta LACTamase domain containing family member	0.0026	0.0102	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0022	0.0066	0.0772
Leishmania major	P-type ATPase, putative	0.0022	0.0066	0.4509
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0028	0.0739
Trichomonas vaginalis	D-aminoacylase, putative	0.0026	0.0102	0.0535
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0028	0.0122	0.2137
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0028	0.0122	1
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0022	0.0066	0.0772
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	0.0664
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0028	0.0122	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0334	0.2483
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0167	0.1503	0.2442
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0178	0.1327
Loa Loa (eye worm)	hypothetical protein	0.004	0.0245	0.1819
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.102	1	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0151	0.1345	1
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0028	0.0122	0.0102
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0022	0.0066	0.0772
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0028	0.0739
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0028	0.0049
Mycobacterium ulcerans	lipase LipD	0.0026	0.0102	0.0075
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0334	0.2483
Onchocerca volvulus		0.0026	0.0102	0.0297
Onchocerca volvulus		0.0026	0.0102	0.0297
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.102	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Trichomonas vaginalis	penicillin-binding protein, putative	0.0026	0.0102	0.0535
Leishmania major	calcium-transporting ATPase, putative	0.0022	0.0066	0.4509
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0022	0.0066	0.4509
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0102	0.8066
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0026	0.0102	0.0123
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0028	0.0122	1
Mycobacterium ulcerans	cation-transporter ATPase I CtpI	0.0019	0.0032	0.0004
Mycobacterium tuberculosis	Probable lipase LipD	0.0026	0.0102	0.0123
Brugia malayi	E1-E2 ATPase family protein	0.0018	0.002	0.0152
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0026	0.0102	0.1501
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.0019	0.0032	0.0007
Plasmodium vivax	hypothetical protein, conserved	0.0026	0.0102	0.0075
Onchocerca volvulus		0.0068	0.0524	0.312
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0102	0.0123
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0028	0.0208
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	0.0664
Schistosoma mansoni	ATPase	0.0028	0.0122	0.1897
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0058	0.0606
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0068	0.0524	1
Brugia malayi	beta-lactamase	0.0026	0.0102	0.0762
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0028	0.0122	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0026	0.0102	0.1691
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.102	1	1
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0102	0.0123
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0028	0.0122	0.0664
Trichomonas vaginalis	esterase, putative	0.0026	0.0102	0.0535
Brugia malayi	beta-lactamase family protein	0.0026	0.0102	0.0762
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0028	0.0122	0.2137
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0026	0.0102	0.0762
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0524	0.3898
Plasmodium falciparum	calcium-transporting ATPase	0.0022	0.0066	0.0038
Trichomonas vaginalis	penicillin-binding protein, putative	0.0026	0.0102	0.0535
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0028	0.0122	0.2137
Brugia malayi	Pre-SET motif family protein	0.0151	0.1345	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0178	0.3033
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0022	0.0066	0.4509
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0028	0.0122	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0028	0.0122	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0026	0.0102	0.0535
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0102	0.0123
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0028	0.0122	0.0664
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0028	0.0122	0.0102
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0028	0.0122	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0026	0.0102	0.0123
Mycobacterium tuberculosis	Probable esterase LipL	0.0026	0.0102	0.0123
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.102	1	1
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0022	0.0066	0.4509
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0063	0.0468	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	0.0664
Plasmodium vivax	P-type ATPase4, putative	0.0028	0.0122	0.0094
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0022	0.0066	0.087
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0022	0.0066	0.0493
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0028	0.0122	0.2137
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0028	0.0208
Echinococcus granulosus	calcium transporting atpase	0.0022	0.0066	0.087
Loa Loa (eye worm)	beta-lactamase	0.0026	0.0102	0.0762
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0102	0.8066
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0022	0.0066	0.0299
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0063	0.0468	1
Plasmodium vivax	calcium-transporting ATPase, putative	0.0028	0.0122	0.0094
Trichomonas vaginalis	set domain proteins, putative	0.0172	0.1552	1
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0068	0.0524	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0028	0.0122	0.0664
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0022	0.0058	0.0606
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0026	0.0102	0.0762
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	0.0664
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0022	0.0066	0.087
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0333	0.2475
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0028	0.0122	0.2137
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0102	0.0075
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0028	0.0739
Trichomonas vaginalis	D-aminoacylase, putative	0.0026	0.0102	0.0535
Toxoplasma gondii	P-type ATPase4, putative	0.0028	0.0122	0.0102
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0059	0.0435	0.0336
Echinococcus granulosus	histone lysine methyltransferase setb	0.0022	0.0058	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0346	0.2575
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0028	0.0122	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0122	0.0908
Leishmania major	calcium-translocating P-type ATPase	0.0028	0.0122	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0028	0.0122	1
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0063	0.0468	0.8875
Loa Loa (eye worm)	E1-E2 ATPase	0.0018	0.002	0.0152
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0058	0.0606
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0022	0.0066	0.0772
Mycobacterium ulcerans	esterase/lipase LipP	0.0026	0.0102	0.0075
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0022	0.0066	0.0772
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0028	0.0122	1
Onchocerca volvulus		0.0026	0.0102	0.0297
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0028	0.0739
Brugia malayi	Na,K-ATPase alpha subunit	0.0068	0.0524	0.3898
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0022	0.0058	0.0038
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0026	0.0102	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0028	0.0122	0.2137
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0625	0.6068	1
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0022	0.0066	0.0046
Schistosoma mansoni	ATPase	0.0028	0.0122	0.1897
Brugia malayi	Pre-SET motif family protein	0.0022	0.0058	0.0431
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0334	0.2483
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0068	0.0524	0.3898
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0762
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0028	0.0122	0.0094
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0022	0.0058	0.0683
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0058	0.0606
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0102	0.8066
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0059	0.0435	0.3231
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0026	0.0102	0.1501
Toxoplasma gondii	ABC1 family protein	0.0026	0.0102	0.0082
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.0063	0.0468	1
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0028	0.0122	0.2137
Echinococcus multilocularis	calcium transporting atpase	0.0022	0.0066	0.087
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0059	0.0435	0.3231
Leishmania major	hypothetical protein, conserved	0.0026	0.0102	0.8066
Brugia malayi	beta-lactamase family protein	0.0026	0.0102	0.0762
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0178	0.1327
Plasmodium vivax	SET domain protein, putative	0.0022	0.0058	0.003
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0026	0.0102	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0058	0.0431
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	0.0664
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0022	0.0066	0.087
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0022	0.0066	0.4509
Onchocerca volvulus		0.0172	0.1552	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0022	0.0058	0.0683
Leishmania major	calcium motive p-type ATPase, putative	0.0022	0.0066	0.4509
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0022	0.0066	0.087
Mycobacterium tuberculosis	Probable hydrolase	0.0026	0.0102	0.0123
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0028	0.2288
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.102	1	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	1
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.102	1	1
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.102	1	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0028	0.0122	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Log IC50 (binding)	= 7	Inhibitory concentration against DOXP reductoisomerase	ChEMBL.	15887963

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: 422369

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 336999