Detailed information for compound 312358

Basic information

Technical information
  • TDR Targets ID: 312358
  • Name: (2R)-2-amino-3-(phosphonomethylsulfanyl)propa noic acid
  • MW: 215.165 | Formula: C4H10NO5PS
  • H donors: 4 H acceptors: 5 LogP: -4.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H](CSCP(=O)(O)O)N
  • InChi: 1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
  • InChiKey: IIALWEPLPCANHU-VKHMYHEASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-amino-3-(phosphonomethylthio)propanoic acid
  • (2R)-2-azanyl-3-(phosphonomethylsulfanyl)propanoic acid
  • (2R)-2-amino-3-(phosphonomethylthio)propionic acid
  • 2-amino-3-((phosphonomethyl)thio)propionic acid
  • 152269-49-3
  • APMTP
  • L-2-Amino-3-((phosphonomethyl)thio)propanoic 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
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0134 0.0327 1
Trypanosoma brucei calcium-activated potassium channel, putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis potassium channel subfamily K 8 0.0134 0.0327 0.0315
Echinococcus multilocularis twik family of potassium channels 0.0134 0.0327 0.0315
Echinococcus granulosus voltage dependent calcium channel subunit 0.1472 0.4605 0.4599
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0134 0.0327 0.3704
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0134 0.0327 0.5
Echinococcus granulosus ephrin type A receptor 4 A 0.0064 0.0101 0.0089
Echinococcus granulosus endothelin converting enzyme 1 0.0092 0.0191 0.0179
Schistosoma mansoni calcium-activated potassium channel 0.3158 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Echinococcus multilocularis potassium channel subfamily K 8 0.0134 0.0327 0.0315
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0296 0.0845 0.0845
Echinococcus granulosus calcium activated potassium channel variant 0.0134 0.0327 0.0315
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0234 0.0647 0.0635
Onchocerca volvulus 0.0134 0.0327 0.3314
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Echinococcus multilocularis calcium activated potassium channel variant 0.0134 0.0327 0.0315
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0313 0.09 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Brugia malayi Telomerase reverse transcriptase 0.0228 0.0626 0.7337
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) TWK-7 protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0134 0.0327 0.0327
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0046 0.0046 0.0033
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0134 0.0327 0.0315
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0134 0.0327 0.3704
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.0115 0.0115
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0137 0.0335 0.0335
Leishmania major ion transport protein-like protein 0.0134 0.0327 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Toxoplasma gondii peptidase family M13 protein 0.0092 0.0191 0.1289
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0134 0.0327 1
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1289 0.4022 0.4014
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0134 0.0327 0.3704
Leishmania major calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.0327 1
Schistosoma mansoni serine-rich repeat protein 0.0346 0.1003 0.0992
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Schistosoma mansoni hypothetical protein 0.3158 1 1
Echinococcus multilocularis potassium channel subfamily K 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.3158 1 1
Loa Loa (eye worm) hypothetical protein 0.1381 0.4315 0.4315
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Leishmania major potassium channel subunit-like protein 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0137 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0092 0.0191 0.2056
Plasmodium falciparum potassium channel 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni biogenic amine (5HT) receptor 0.0144 0.0359 0.0346
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis small conductance calcium activated potassium 0.3158 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni calcium-activated potassium channel 0.262 0.8279 0.8277
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0134 0.0327 0.0315
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0046 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.1239 0.3862 0.3862
Echinococcus multilocularis serotonin receptor 0.0144 0.0359 0.0346
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0134 0.0327 0.0315
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0324 0.0933 0.0921
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Brugia malayi Cache domain containing protein 0.0296 0.0845 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Mycobacterium leprae probable zinc metalloprotease 0.0092 0.0191 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0053 0.0067 0.0067
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Leishmania major hypothetical protein, conserved 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0359 0.0359
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0046 0.0033
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0092 0.0191 0.0179
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) glutamate receptor 0.0043 0.0035 0.0035
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0134 0.0327 0.0327
Echinococcus multilocularis ephrin type A receptor 4 A 0.0064 0.0101 0.0089
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0642 0.1951 0.1941
Brugia malayi hypothetical protein 0.0134 0.0327 0.3704
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.0046 0.0033
Plasmodium falciparum potassium channel 0.0134 0.0327 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0134 0.0327 0.0327
Toxoplasma gondii ion channel protein 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Plasmodium vivax potassium channel, putative 0.0134 0.0327 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0134 0.0327 0.0315
Echinococcus granulosus biogenic amine 5HT receptor 0.0144 0.0359 0.0346
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) TK/EPH protein kinase 0.0081 0.0157 0.0157
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0053 0.0067 0.0054
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0134 0.0327 0.3704
Brugia malayi Peptidase family M13 containing protein 0.0092 0.0191 0.2056
Leishmania major hypothetical protein, conserved 0.0134 0.0327 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0134 0.0327 0.3704
Trypanosoma cruzi ion transport protein, putative 0.0134 0.0327 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0669 0.2039 0.2029
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0053 0.0067 0.0054
Schistosoma mansoni ephrin receptor 0.0064 0.0101 0.0089
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0046 0.0033
Echinococcus granulosus potassium channel subfamily K 8 0.0134 0.0327 0.0315
Toxoplasma gondii ion channel protein 0.0134 0.0327 1
Onchocerca volvulus 0.0063 0.0099 0.0654
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0669 0.2039 0.2029
Mycobacterium ulcerans ion transport protein 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Echinococcus multilocularis twik family of potassium channels 0.0134 0.0327 0.0315
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0137 0.0335 0.3796
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0134 0.0327 0.3704
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0134 0.0327 0.3704
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0144 0.0359 0.0359
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0404 0.1188 0.1188
Echinococcus granulosus twik family of potassium channels 0.0134 0.0327 0.0315
Schistosoma mansoni amine GPCR 0.0367 0.107 0.1059
Brugia malayi hypothetical protein 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis serotonin receptor 0.0144 0.0359 0.0346
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Plasmodium vivax potassium channel, putative 0.0134 0.0327 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0043 0.0035 0.0157
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Trypanosoma cruzi ion transport protein, putative 0.0134 0.0327 1
Echinococcus granulosus twik family of potassium channels 0.0134 0.0327 0.0315
Onchocerca volvulus 0.0134 0.0327 0.3314
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0049 0.0054 0.0041
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Mycobacterium ulcerans transmembrane cation transporter 0.0134 0.0327 1
Loa Loa (eye worm) uncoordinated protein 58 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.0115 0.0115
Echinococcus multilocularis endothelin converting enzyme 1 0.0092 0.0191 0.0179
Echinococcus granulosus potassium channel subfamily K 8 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni neprilysin-2 (M13 family) 0.0046 0.0046 0.0033
Onchocerca volvulus 0.0134 0.0327 0.3314
Giardia lamblia Hypothetical protein 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Schistosoma mansoni hypothetical protein 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0137 0.0335 0.3796
Echinococcus granulosus potassium channel subfamily K 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1472 0.4605 0.4599
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0134 0.0327 0.3704
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0134 0.0327 0.3704
Schistosoma mansoni hypothetical protein 0.0346 0.1003 0.0992
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.0327 0.0315
Loa Loa (eye worm) TWK-28 protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0063 0.0099 0.0099

Activities

Activity type Activity value Assay description Source Reference
K inact (binding) d 0 min-1 Inhibition of Escherichia coli threonine synthase expressed as inactivation constant; d : indicates competitive inhibitor ChEMBL. 7241506
Ki (binding) = 0.000011 M Inhibition of threonine synthase in Escherichia coli ChEMBL. 7241506

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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