Detailed information for compound 1881917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 165.171 | Formula: C6H16NO2P
  • H donors: 1 H acceptors: 2 LogP: -0.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]P(=O)CCC[N+](C)(C)C
  • InChi: 1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3
  • InChiKey: WOSBPQBJRYGKCZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens butyrobetaine (gamma), 2-oxoglutarate dioxygenase (gamma-butyrobetaine hydroxylase) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two potential gamma-butyrobetaine hydroxylase genes, last step in carnitine biosynthesis, EC 1.14.11.1 Get druggable targets OG5_129640 All targets in OG5_129640
Candida albicans hypothetical protein Get druggable targets OG5_129640 All targets in OG5_129640

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
Loa Loa (eye worm) matrixin family protein 0.0146 0.0214 0.0214
Mycobacterium ulcerans hydrolase 0.008 0 0.5
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.008 0 0.5
Brugia malayi Hemopexin family protein 0.0093 0.0043 0.0043
Onchocerca volvulus Matrix metalloproteinase homolog 0.0146 0.0214 1
Loa Loa (eye worm) hypothetical protein 0.3165 1 1
Loa Loa (eye worm) hypothetical protein 0.3165 1 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.024 0.0517 0.5
Loa Loa (eye worm) matrixin family protein 0.0159 0.0256 0.0256
Brugia malayi Matrixin family protein 0.0159 0.0256 0.0256
Onchocerca volvulus Matrilysin homolog 0.0146 0.0214 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.3165 1 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.024 0.0517 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.008 0 0.5
Schistosoma mansoni hypothetical protein 0.0093 0.0043 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.52 uM Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincubated for 15 mins measured after 30 mins by UPLC-MS/MS analysis ChEMBL. 24571165

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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