Detailed information for compound 303751

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.214 | Formula: C10H17O3P
  • H donors: 2 H acceptors: 3 LogP: 1.07 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)O
  • InChi: 1S/C10H17O3P/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,12,13)/t7-,8+,9-,10?
  • InChiKey: WLVVUJAREKFGTQ-URIMCQPQSA-N  


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 Eukaryotic-type carbonic anhydrase family protein 0.0394 0.3578 0.5567
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0593 0.6427 1
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0191 0.0656 0.102
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0593 0.6427 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0185 0.0581 0.0903
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0593 0.6427 1
Plasmodium vivax RNA helicase-1, putative 0.0593 0.6427 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0593 0.6427 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0191 0.0656 0.102
Treponema pallidum ATP-dependent RNA helicase 0.0593 0.6427 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0593 0.6427 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0593 0.6427 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0394 0.3578 0.5567
Loa Loa (eye worm) hypothetical protein 0.0185 0.0581 0.0581
Schistosoma mansoni voltage-gated potassium channel 0.0208 0.0906 0.141
Schistosoma mansoni carbonic anhydrase 0.0185 0.0581 0.0903
Leishmania major eukaryotic initiation factor 4a, putative 0.0593 0.6427 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0191 0.0656 0.102
Echinococcus granulosus eukaryotic initiation factor 4A 0.0593 0.6427 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0394 0.3578 0.3578
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Loa Loa (eye worm) hypothetical protein 0.0593 0.6427 0.6427
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0295 0.0295
Schistosoma mansoni voltage-gated potassium channel 0.0208 0.0906 0.141
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0593 0.6427 1
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Mycobacterium ulcerans hypothetical protein 0.0145 0 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0185 0.0581 0.0903
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0394 0.3578 0.5567
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0185 0.0581 0.0581
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0593 0.6427 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0593 0.6427 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0593 0.6427 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Loa Loa (eye worm) hypothetical protein 0.0185 0.0581 0.0581
Schistosoma mansoni hypothetical protein 0.0185 0.0581 0.0903
Echinococcus multilocularis carbonic anhydrase II 0.0394 0.3578 0.5567
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0394 0.3578 0.3578
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0593 0.6427 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0593 0.6427 1
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Plasmodium falciparum eukaryotic initiation factor 4A 0.0593 0.6427 1
Echinococcus granulosus carbonic anhydrase II 0.0394 0.3578 0.5567
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0191 0.0656 0.0656
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0394 0.3578 0.5567

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 140 uM Tested for its inhibitory activity against the enzyme prephenate dehyderogenase (PDH) in E. coli T-protein ChEMBL. 11958996
Ki (binding) = 200 uM Tested for its inhibitory activity against the enzyme chorismate mutase (CM) in E. coli T-protein ChEMBL. 11958996

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

1 literature reference was collected for this gene.

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