TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.286 | Formula: C11H24NO5P
H donors: 3 H acceptors: 5 LogP: 0.76 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC(=O)N(CCCP(=O)(O)O)O
InChi: 1S/C11H24NO5P/c1-2-3-4-5-6-8-11(13)12(14)9-7-10-18(15,16)17/h14H,2-10H2,1H3,(H2,15,16,17)
InChiKey: GWBDABZSDWGHSK-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

Species	Target name	Source	Bibliographic reference
Escherichia coli	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Neospora caninum	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium yoelii	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	Get druggable targets OG5_130462	All targets in OG5_130462
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Babesia bovis	1-deoxy-D-xylulose 5-phosphate reductoisomerase family protein	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium knowlesi	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Theileria parva	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium berghei	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462

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 multilocularis	aldehyde dehydrogenase, mitochondrial	0.013	0.2159	0.3575
Echinococcus multilocularis	peregrin	0.0032	0.019	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0739	0.1224
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0205	0.034
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0595	0.0985
Leishmania major	hypothetical protein, conserved	0.0231	0.42	1
Schistosoma mansoni	hypothetical protein	0.0323	0.6038	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0645	0.1068
Brugia malayi	Bromodomain containing protein	0.0032	0.019	0.0463
Entamoeba histolytica	hypothetical protein	0.0038	0.0311	1
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0027	0.0088	0.0146
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0324	0.0536
Brugia malayi	RNA, U transporter 1	0.0086	0.128	0.3123
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.019	0.019
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0104	0.1639	0.2714
Schistosoma mansoni	hypothetical protein	0.0032	0.019	0.0314
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.41	0.679
Brugia malayi	hypothetical protein	0.0038	0.0311	0.0758
Brugia malayi	Importin beta-1 subunit	0.003	0.016	0.0391
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	0.42	1
Schistosoma mansoni	jumonji domain containing protein	0.0082	0.121	0.2004
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.2159	0.2089
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0324	0.0536
Entamoeba histolytica	hypothetical protein	0.0038	0.0311	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0311	1
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.2159	0.3575
Brugia malayi	Pre-SET motif family protein	0.0032	0.0205	0.05
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.0439	0.0727
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0595	0.0985
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0204	0.3659	0.6061
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0045	0.0096
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0595	0.0893
Brugia malayi	Pre-SET motif family protein	0.0226	0.41	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0205	0.034
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0204	0.3659	0.6061
Echinococcus granulosus	importin subunit beta 1	0.003	0.016	0.0266
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.019	0.0314
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0311	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0032	0.019	0.0314
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.2159	0.2089
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0205	0.034
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0323	0.6038	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.0868	0.1438
Brugia malayi	jmjC domain containing protein	0.0104	0.1639	0.3998
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.013	0.2159	0.5139
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	0.5
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0059	0.0739	0.1224
Entamoeba histolytica	hypothetical protein	0.0025	0.0045	0.1464
Echinococcus granulosus	snurportin 1	0.0323	0.6038	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0088	0.021
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0311	0.0515
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0045	0.0096
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.052	1	0.5
Loa Loa (eye worm)	MBCTL1	0.0059	0.0739	0.1224
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.016	0.0266
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.2068	0.3425
Toxoplasma gondii	aldehyde dehydrogenase	0.013	0.2159	0.2159
Giardia lamblia	PHD finger protein 15	0.0032	0.019	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.016	0.0382
Onchocerca volvulus		0.0052	0.0595	0.0893
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0027	0.0088	0.0186
Echinococcus multilocularis	importin subunit beta 1	0.003	0.016	0.0266
Onchocerca volvulus		0.0032	0.0205	0.0034
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0205	0.0205
Echinococcus granulosus	histone acetyltransferase MYST2	0.0059	0.0739	0.1224
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0595	0.0985
Echinococcus multilocularis	snurportin 1	0.0323	0.6038	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.013	0.2159	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0205	0.034
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0595	0.0985
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.0439	0.0727
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0205	0.034
Brugia malayi	PHD-finger family protein	0.0032	0.019	0.0463
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0045	0.0108
Brugia malayi	mbt repeat family protein	0.0052	0.0595	0.1451
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.013	0.2159	0.3575
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.2159	0.2089
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0032	0.019	0.0314
Plasmodium falciparum	phd finger protein, putative	0.0032	0.019	0.019
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.016	0.0382
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0311	0.0515
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.2068	0.3425
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0059	0.0739	0.1224
Trichomonas vaginalis	set domain proteins, putative	0.0257	0.4728	1
Brugia malayi	mbt repeat family protein	0.0052	0.0595	0.1451
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Brugia malayi	MH2 domain containing protein	0.0125	0.2068	0.5045
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0595	0.0985
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0595	0.0985
Trypanosoma brucei	hypothetical protein, conserved	0.0231	0.42	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0181	0.03
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.016	0.016
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0059	0.0739	0.1224
Echinococcus granulosus	peregrin	0.0032	0.019	0.0314
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	0.42	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0205	0.034
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0045	0.0096
Plasmodium vivax	importin-beta 2, putative	0.003	0.016	0.016
Echinococcus granulosus	citrate lyase subunit beta protein	0.0027	0.0088	0.0146
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0205	0.034
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0595	0.0985
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0324	0.0536
Brugia malayi	jmjC domain containing protein	0.0038	0.0324	0.079
Schistosoma mansoni	hypothetical protein	0.0038	0.0311	0.0515
Entamoeba histolytica	hypothetical protein	0.0038	0.0311	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0088	0.021
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0595	0.0985
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0125	0.2066	0.955
Schistosoma mansoni	hypothetical protein	0.0315	0.5888	0.9751
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0045	0.0108
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.2159	0.3575
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0032	0.019	0.0314
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0059	0.0739	0.1803
Schistosoma mansoni	importin beta-1	0.003	0.016	0.0266
Echinococcus granulosus	PHD finger protein rhinoceros	0.0032	0.019	0.0314
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0324	0.0536
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0104	0.1639	0.2714
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0324	0.0536
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0205	0.034
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0088	0.021
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0059	0.0739	0.1224
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.019	0.019
Plasmodium vivax	SET domain protein, putative	0.0032	0.0205	0.0205
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Onchocerca volvulus		0.0257	0.4728	1
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.019	0.019
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0595	0.0985
Plasmodium falciparum	importin beta, putative	0.003	0.016	0.016

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -5.77	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: CHEMBL606516

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 1103372