Detailed information for compound 39450

Basic information

Technical information
  • TDR Targets ID: 39450
  • Name: 2-[[3-(phosphonomethyl)phenyl]methylamino]pro panoic acid
  • MW: 273.222 | Formula: C11H16NO5P
  • H donors: 4 H acceptors: 5 LogP: -3.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(NCc1cccc(c1)CP(=O)(O)O)C
  • InChi: 1S/C11H16NO5P/c1-8(11(13)14)12-6-9-3-2-4-10(5-9)7-18(15,16)17/h2-5,8,12H,6-7H2,1H3,(H,13,14)(H2,15,16,17)
  • InChiKey: NIXBCLPFAOEWQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[3-(phosphonomethyl)benzyl]amino]propionic acid

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
Echinococcus multilocularis epidermal growth factor receptor 0.0659 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0354 0.3299 0.32
Schistosoma mansoni tyrosine kinase 0.0354 0.3299 0.32
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.034 0.2985 0.2985
Schistosoma mansoni serine/threonine protein kinase 0.0632 0.9406 0.9397
Echinococcus granulosus mitogen activated protein kinase 3 0.0632 0.9406 0.9397
Echinococcus multilocularis insulin receptor 0.0211 0.0145 0.0145
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0632 0.9406 1
Schistosoma mansoni tyrosine kinase 0.035 0.3217 0.3117
Echinococcus multilocularis epidermal growth factor receptor 0.0354 0.3299 0.3299
Echinococcus multilocularis mitogen activated protein kinase 3 0.0632 0.9406 0.9406
Echinococcus granulosus mitogen activated protein kinase 0.0632 0.9406 0.9397
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0632 0.9406 1
Echinococcus granulosus epidermal growth factor receptor 0.0354 0.3299 0.32
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0632 0.9406 0.9397
Trypanosoma brucei protein kinase, putative 0.0632 0.9406 1
Trichomonas vaginalis CMGC family protein kinase 0.0632 0.9406 0.5
Schistosoma mansoni fructose-16-bisphosphatase-related 0.034 0.2985 0.2882
Schistosoma mansoni tyrosine kinase 0.0354 0.3299 0.32
Brugia malayi MAP kinase sur-1 0.0632 0.9406 0.9397
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0632 0.9406 1
Brugia malayi fructose-1,6-bisphosphatase 0.034 0.2985 0.2882
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.034 0.2985 0.2882
Trichomonas vaginalis CMGC family protein kinase 0.0632 0.9406 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0632 0.9406 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0632 0.9406 1
Schistosoma mansoni tyrosine kinase 0.035 0.3217 0.3117
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0211 0.0145 0.0145
Trichomonas vaginalis CMGC family protein kinase 0.0632 0.9406 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0632 0.9406 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0632 0.9406 1
Echinococcus multilocularis mitogen activated protein kinase 0.0632 0.9406 0.9406
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0632 0.9406 1
Echinococcus granulosus epidermal growth factor receptor 0.0659 1 1
Schistosoma mansoni tyrosine kinase 0.0659 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0632 0.9406 0.5
Echinococcus granulosus fructose 16 bisphosphatase 1 0.034 0.2985 0.2882
Loa Loa (eye worm) TK/EGFR protein kinase 0.0659 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0632 0.9406 1
Schistosoma mansoni tyrosine kinase 0.035 0.3217 0.3117

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 31 % Displacement of [3H]-CPP from N-methyl-D-aspartate glutamate receptor of rat cortical membranes ChEMBL. 1533423
Inhibition (binding) = 31 % Displacement of [3H]-CPP from N-methyl-D-aspartate glutamate receptor of rat cortical membranes ChEMBL. 1533423

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.