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
Brugia malayi jmjC domain containing protein 0.0038 0.0324 0.079
Entamoeba histolytica hypothetical protein 0.0038 0.0311 1
Schistosoma mansoni hypothetical protein 0.0038 0.0311 0.0515
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0595 0.0985
Schistosoma mansoni hypothetical protein 0.0315 0.5888 0.9751
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0125 0.2066 0.955
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0088 0.021
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
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.2159 0.3575
Leishmania major importin beta-1 subunit, putative 0.0025 0.0045 0.0108
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 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 granulosus PHD finger protein rhinoceros 0.0032 0.019 0.0314
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0324 0.0536
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0088 0.021
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0205 0.034
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
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
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
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
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0181 0.03
Trypanosoma brucei hypothetical protein, conserved 0.0231 0.42 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.016 0.016
Echinococcus granulosus peregrin 0.0032 0.019 0.0314
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0739 0.1224
Trypanosoma cruzi hypothetical protein, conserved 0.0231 0.42 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0045 0.0096
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0205 0.034
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
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
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0311 0.0515
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.052 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0739 0.1224
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2068 0.3425
Trichomonas vaginalis set domain proteins, putative 0.0257 0.4728 1
Brugia malayi mbt repeat family protein 0.0052 0.0595 0.1451
Brugia malayi MH2 domain containing protein 0.0125 0.2068 0.5045
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.052 1 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0027 0.0088 0.0186
Onchocerca volvulus 0.0032 0.0205 0.0034
Echinococcus multilocularis importin subunit beta 1 0.003 0.016 0.0266
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0205 0.0205
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0595 0.0985
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0739 0.1224
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0.2159 1
Echinococcus multilocularis snurportin 1 0.0323 0.6038 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0595 0.0985
Loa Loa (eye worm) hypothetical protein 0.0032 0.0205 0.034
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0439 0.0727
Brugia malayi PHD-finger family protein 0.0032 0.019 0.0463
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0205 0.034
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
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
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0088 0.021
Echinococcus granulosus snurportin 1 0.0323 0.6038 1
Entamoeba histolytica hypothetical protein 0.0025 0.0045 0.1464
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
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0595 0.0893
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0045 0.0096
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0205 0.034
Brugia malayi Pre-SET motif family protein 0.0226 0.41 1
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) jmjC domain-containing protein 0.0065 0.0868 0.1438
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 0.6038 1
Brugia malayi jmjC domain containing protein 0.0104 0.1639 0.3998
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.013 0.2159 0.5139
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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0.2159 0.3575
Loa Loa (eye worm) hypothetical protein 0.0059 0.0739 0.1224
Echinococcus multilocularis peregrin 0.0032 0.019 0.0314
Schistosoma mansoni hypothetical protein 0.0323 0.6038 1
Leishmania major hypothetical protein, conserved 0.0231 0.42 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0595 0.0985
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0205 0.034
Brugia malayi Bromodomain containing protein 0.0032 0.019 0.0463
Loa Loa (eye worm) hypothetical protein 0.0054 0.0645 0.1068
Entamoeba histolytica hypothetical protein 0.0038 0.0311 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0324 0.0536
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0088 0.0146
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
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
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.1639 0.2714

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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