Detailed information for compound 338326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.262 | Formula: C11H21NO5P---
  • H donors: 0 H acceptors: 5 LogP: 0.51 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC(=O)N(CCCP(=O)([O-])[O-])[O-]
  • InChi: 1S/C11H23NO5P/c1-2-3-4-5-6-8-11(13)12(14)9-7-10-18(15,16)17/h2-10H2,1H3,(H2,15,16,17)/q-1/p-2
  • InChiKey: APUVCMOJWUBZLH-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Log 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

Bibliographic References

1 literature reference was collected for this gene.

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