Detailed information for compound 231605

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 229.23 | Formula: C10H15NO5
  • H donors: 3 H acceptors: 4 LogP: -3.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(C)OC(=O)C[C@H]2[C@@H]1CN[C@@H]2C(=O)O
  • InChi: 1S/C10H15NO5/c1-10(4-12)6-3-11-8(9(14)15)5(6)2-7(13)16-10/h5-6,8,11-12H,2-4H2,1H3,(H,14,15)/t5-,6-,8-,10?/m0/s1
  • InChiKey: MYYNYTBEAXTWGY-AWIFMCDYSA-N  

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 ulcerans protoporphyrinogen oxidase 0.0157 1 1
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0062 0.3337 0.5
Toxoplasma gondii cytochrome b 0.0062 0.3337 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0447 0.1341
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0867 0.2597
Schistosoma mansoni intermediate filament proteins 0.0027 0.0867 0.0439
Brugia malayi SWIRM domain containing protein 0.0021 0.0447 0.1341
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0867 0.2597
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Loa Loa (eye worm) cytochrome b 0.0062 0.3337 1
Schistosoma mansoni lamin 0.0027 0.0867 0.0439
Schistosoma mansoni cytochrome b 0.0062 0.3337 0.3025
Plasmodium falciparum cytochrome b 0.0062 0.3337 1
Echinococcus multilocularis lamin dm0 0.0027 0.0867 0.0439
Loa Loa (eye worm) hypothetical protein 0.0026 0.0832 0.2494
Echinococcus multilocularis protoporphyrinogen oxidase 0.0157 1 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0157 1 1
Onchocerca volvulus 0.0027 0.0867 1
Leishmania major UDP-galactopyranose mutase 0.0021 0.0447 0.5
Echinococcus multilocularis lamin 0.0027 0.0867 0.0439
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0157 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0867 0.2597
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Plasmodium vivax cytochrome b 0.0062 0.3337 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0447 0.1341
Brugia malayi hypothetical protein 0.0021 0.0447 0.1341
Toxoplasma gondii apocytochrome b, putative 0.0062 0.3337 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0447 0.5
Echinococcus granulosus lamin dm0 0.0027 0.0867 0.0517
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0136 0.8553 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0136 0.8553 1
Brugia malayi cytochrome b 0.0062 0.3337 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0867 0.2597
Brugia malayi intermediate filament protein 0.0027 0.0867 0.2597
Echinococcus granulosus lamin 0.0027 0.0867 0.0517
Echinococcus granulosus cytochrome B 0.0062 0.3337 0.3565
Schistosoma mansoni lamin 0.0027 0.0867 0.0439
Echinococcus multilocularis musashi 0.0027 0.0867 0.0439
Echinococcus granulosus intermediate filament protein 0.0027 0.0867 0.0517
Schistosoma mansoni cytochrome b 0.0062 0.3337 0.3025
Onchocerca volvulus 0.0027 0.0867 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2 mM Concentration at which the compound inhibits half of the response of N-methyl-D-aspartic acid (NMDA) ChEMBL. 6827527
IC50 (functional) = 3 mM Concentration at which the compound inhibits half of the response of kainic acid (KA) ChEMBL. 6827527
Response (functional) < 36 % Percentage response to 30 microM of N-methyl-D-aspartic acid (NMDA) at 3 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) < 50 % Percentage response to 0.1 mM of kainic acid (KA) at 3 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) = 94 % Percentage response to 0.1 mM of quisqualic acid at 3 mM of the compound in rat striatum slices. ChEMBL. 6827527
Response (functional) = 106 % Percentage response to 0.5 mM of L-Glutamic acid at 3 mM of the compound in rat striatum slices. ChEMBL. 6827527

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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