Detailed information for compound 55938

Basic information

Technical information
  • TDR Targets ID: 55938
  • Name: (2R)-2-amino-4-methylidenepentanedioic acid
  • MW: 159.14 | Formula: C6H9NO4
  • H donors: 3 H acceptors: 4 LogP: -2.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H](C(=O)O)CC(=C)C(=O)O
  • InChi: 1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m1/s1
  • InChiKey: RCCMXKJGURLWPB-SCSAIBSYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-2-amino-4-methylene-pentanedioic acid
  • (2R)-2-amino-4-methylenepentanedioic acid
  • (2R)-2-azanyl-4-methylidene-pentanedioic acid
  • (2R)-2-amino-4-methylene-glutaric acid
  • 4-methyleneglutamic acid
  • (2R)-2-amino-4-methylidene-pentanedioic 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
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.02 0.1274 0.1242
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.0891 0.0862
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.013 0.0656 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0118 0.0087
Echinococcus multilocularis glutamate receptor 2 0.0082 0.023 0.0199
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.0891 0.0862
Onchocerca volvulus 0.0137 0.0712 0.1805
Loa Loa (eye worm) hypothetical protein 0.01 0.0383 0.0383
Echinococcus granulosus tissue type plasminogen activator 0.0137 0.0712 0.0682
Echinococcus multilocularis BC026374 protein (S09 family) 0.02 0.1274 0.1247
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Entamoeba histolytica hypothetical protein 0.007 0.0118 0.5
Brugia malayi Kringle domain containing protein 0.0137 0.0712 0.0677
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.0891 0.0862
Loa Loa (eye worm) hypothetical protein 0.0139 0.0733 0.0733
Trichomonas vaginalis spcc417.12 protein, putative 0.02 0.1274 0.5
Echinococcus granulosus BC026374 protein S09 family 0.02 0.1274 0.1247
Schistosoma mansoni hypothetical protein 0.0081 0.0222 0.0186
Onchocerca volvulus 0.01 0.0385 0.0601
Schistosoma mansoni alkaline phosphatase 0.0157 0.0892 0.0858
Loa Loa (eye worm) hypothetical protein 0.1185 1 1
Echinococcus granulosus acetylcholinesterase 0.1185 1 1
Onchocerca volvulus 0.02 0.1274 0.3876
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0157 0.0891 0.0862
Loa Loa (eye worm) hypothetical protein 0.0137 0.0712 0.0712
Loa Loa (eye worm) carboxylesterase 0.02 0.1274 0.1274
Brugia malayi Carboxylesterase family protein 0.02 0.1274 0.1242
Trypanosoma cruzi hypothetical protein, conserved 0.0137 0.0712 1
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0157 0.0892 0.0863
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0157 0.0892 0.0863
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.02 0.1274 0.1242
Brugia malayi SEA domain containing protein 0.0081 0.0222 0.0186
Echinococcus multilocularis neuroligin 0.02 0.1274 0.1247
Echinococcus granulosus metabotropic glutamate receptor 5 0.0147 0.0802 0.0772
Loa Loa (eye worm) carboxylesterase 0.1185 1 1
Brugia malayi hypothetical protein 0.007 0.0118 0.0081
Brugia malayi hypothetical protein 0.01 0.0383 0.0348
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0067 0.0093 0.0057
Brugia malayi hypothetical protein 0.0228 0.1524 0.1492
Onchocerca volvulus 0.02 0.1274 0.3876
Loa Loa (eye worm) glutamate receptor 0.0122 0.0576 0.0576
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0069 0.0108 0.0071
Brugia malayi Carboxylesterase family protein 0.02 0.1274 0.1242
Schistosoma mansoni calcium-activated potassium channel 0.0264 0.184 0.181
Schistosoma mansoni hypothetical protein 0.0334 0.246 0.2432
Loa Loa (eye worm) choline/ethanolamine kinase 0.0168 0.0992 0.0992
Loa Loa (eye worm) acetylcholinesterase 1 0.1185 1 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Schistosoma mansoni acetylcholinesterase 0.02 0.1274 0.1242
Plasmodium vivax choline kinase, putative 0.0168 0.0992 1
Toxoplasma gondii PAN domain-containing protein 0.0573 0.4578 1
Schistosoma mansoni hypothetical protein 0.0082 0.0223 0.0187
Brugia malayi metabotropic glutamate receptor type 2 0.0065 0.0077 0.004
Loa Loa (eye worm) hypothetical protein 0.0334 0.246 0.246
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0157 0.0892 0.0863
Echinococcus granulosus metabotropic glutamate receptor 2 0.0104 0.0418 0.0388
Leishmania major hypothetical protein, conserved 0.0137 0.0712 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0157 0.0892 0.0863
Onchocerca volvulus 0.02 0.1274 0.3876
Entamoeba histolytica hypothetical protein 0.007 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0002 0.0002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1185 1 1
Echinococcus granulosus neuroligin 0.02 0.1274 0.1247
Schistosoma mansoni calcium-activated potassium channel 0.0334 0.246 0.2432
Loa Loa (eye worm) hypothetical protein 0.1185 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.02 0.1274 0.5
Schistosoma mansoni alkaline phosphatase 0.0157 0.0892 0.0858
Echinococcus granulosus intestinal type alkaline phosphatase 0.0157 0.0892 0.0863
Loa Loa (eye worm) prolyl oligopeptidase 0.0388 0.2937 0.2937
Echinococcus multilocularis tissue type plasminogen activator 0.0137 0.0712 0.0682
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0388 0.2937 0.2911
Echinococcus granulosus glutamate receptor 2 0.0082 0.023 0.0199
Onchocerca volvulus 0.02 0.1274 0.3876
Schistosoma mansoni neuroligin 3 (S09 family) 0.02 0.1274 0.1242
Schistosoma mansoni hypothetical protein 0.007 0.0118 0.0081
Loa Loa (eye worm) hypothetical protein 0.0081 0.0222 0.0222
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0388 0.2937 0.2915
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0104 0.0418 0.0388
Schistosoma mansoni glutamate receptor kainate 0.0135 0.0698 0.0663
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1482 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0097 0.036 0.0329
Loa Loa (eye worm) glutamate receptor 2 0.0061 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0388 0.2937 1
Loa Loa (eye worm) carboxylesterase 0.02 0.1274 0.1274
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.01 0.0383 0.0348
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0125 0.0608 0.0574
Echinococcus multilocularis acetylcholinesterase 0.1185 1 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0082 0.023 0.0199
Brugia malayi prolyl oligopeptidase family protein 0.013 0.0656 0.0621
Schistosoma mansoni glutamate receptor kainate 0.0135 0.0698 0.0663
Onchocerca volvulus 0.02 0.1274 0.3876
Echinococcus multilocularis NMDA receptor 0.0097 0.036 0.0329
Brugia malayi Metabotropic glutamate receptor precursor. 0.0122 0.0576 0.0542
Brugia malayi Carboxylesterase family protein 0.02 0.1274 0.1242
Echinococcus granulosus Dipeptidyl peptidase 9 0.013 0.0656 0.0626
Loa Loa (eye worm) TK/ROR protein kinase 0.0137 0.0712 0.0712
Loa Loa (eye worm) hypothetical protein 0.0228 0.1524 0.1524
Brugia malayi Choline/ethanolamine kinase family protein 0.0168 0.0992 0.0959
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.0891 0.0862
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.02 0.1274 0.1242
Schistosoma mansoni BC026374 protein (S09 family) 0.02 0.1274 0.1242
Echinococcus multilocularis choline:ethanolamine kinase 0.0168 0.0992 0.0964
Schistosoma mansoni glutamate receptor NMDA 0.0082 0.023 0.0194
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0083 0.0239 0.0203
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0082 0.023 0.0199
Loa Loa (eye worm) hypothetical protein 0.0125 0.0607 0.0607
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0118 0.0081
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.013 0.0656 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1524 0.1497
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0097 0.036 0.0329
Schistosoma mansoni metabotropic glutamate receptor 0.0104 0.0418 0.0383
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0097 0.036 0.0329
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0118 0.0087
Brugia malayi hypothetical protein 0.02 0.1274 0.1242
Brugia malayi Muscle positioning protein 4 0.01 0.0385 0.0349
Brugia malayi Carboxylesterase family protein 0.02 0.1274 0.1242
Echinococcus granulosus alkaline phosphatase 0.0157 0.0892 0.0863
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0157 0.0892 0.0863
Echinococcus multilocularis alkaline phosphatase 0.0157 0.0892 0.0863
Brugia malayi Carboxylesterase family protein 0.1185 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0388 0.2937 0.2911
Echinococcus granulosus family S9 non peptidase ue S09 family 0.02 0.1274 0.1247
Echinococcus multilocularis carboxylesterase 5A 0.1185 1 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Loa Loa (eye worm) hypothetical protein 0.01 0.0385 0.0385
Loa Loa (eye worm) glutamate receptor 1 0.0061 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.013 0.0656 0.0621
Schistosoma mansoni gliotactin 0.02 0.1274 0.1242
Schistosoma mansoni metabotropic glutamate receptor 0.0065 0.0077 0.004
Plasmodium falciparum choline kinase 0.0168 0.0992 1
Echinococcus granulosus acetylcholinesterase 0.1185 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0097 0.036 0.0329
Brugia malayi Protein kinase domain containing protein 0.0137 0.0712 0.0677
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0147 0.0802 0.0772
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.1274
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0388 0.2937 0.2915
Echinococcus granulosus para nitrobenzyl esterase 0.02 0.1274 0.1247
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0157 0.0891 0.0862
Echinococcus granulosus carboxylesterase 5A 0.1185 1 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0168 0.0992 0.0858
Loa Loa (eye worm) DOMON domain-containing protein 0.0081 0.0222 0.0222
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.02 0.1274 0.1247
Echinococcus multilocularis para nitrobenzyl esterase 0.02 0.1274 0.1247
Entamoeba histolytica hypothetical protein 0.007 0.0118 0.5
Toxoplasma gondii PAN domain-containing protein 0.0573 0.4578 1
Schistosoma mansoni hypothetical protein 0.0137 0.0712 0.0677
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0061 0.0037 0.0005
Echinococcus granulosus choline:ethanolamine kinase 0.0168 0.0992 0.0964
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1524 0.1497
Echinococcus multilocularis acetylcholinesterase 0.1185 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0061 0.0037 0.0005
Echinococcus granulosus small conductance calcium activated potassium 0.0334 0.246 0.2436
Echinococcus multilocularis small conductance calcium activated potassium 0.0334 0.246 0.2436
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.02 0.1274 0.5
Echinococcus multilocularis glutamate receptor 2 0.0061 0.0037 0.0005
Entamoeba histolytica hypothetical protein 0.007 0.0118 0.5
Toxoplasma gondii kringle domain-containing protein 0.0137 0.0712 0.0143
Loa Loa (eye worm) hypothetical protein 0.0147 0.0802 0.0802
Echinococcus multilocularis Dipeptidyl peptidase 9 0.013 0.0656 0.0626

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100 uM Stimulation of [3H]-phosphatidylinositol accumulation by rat Metabotropic glutamate receptor 4 coexpressed with Gqi9 protein in HEK 293 cells; Inactive ChEMBL. 15801843
EC50 (functional) > 100 uM Stimulation of [3H]-phosphatidylinositol accumulation by rat Metabotropic glutamate receptor 4 coexpressed with Gqi9 protein in HEK 293 cells; Inactive ChEMBL. 15801843
EC50 ratio (functional) Ratio between the measured EC50 of the compound and the glutamate EC50 measured against Metabotropic glutamate receptor 2; Not determined ChEMBL. 10229625
EC50 ratio (functional) = 14 Ratio between EC50 of compound and glutamate measured against metabotropic glutamate receptor 1 ChEMBL. 10229625
EC50 ratio (functional) 0 Ratio between the measured EC50 of the compound and the glutamate EC50 measured against Metabotropic glutamate receptor 2; Not determined ChEMBL. 10229625
EC50 ratio (functional) = 14 Ratio between EC50 of compound and glutamate measured against metabotropic glutamate receptor 1 ChEMBL. 10229625

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

2 literature references were collected for this gene.

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