Detailed information for compound 55390

Basic information

Technical information
  • TDR Targets ID: 55390
  • Name: 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: NC(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)
  • InChiKey: RCCMXKJGURLWPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-methylene-pentanedioic acid
  • 2-amino-4-methylenepentanedioic acid
  • 2-azanyl-4-methylidene-pentanedioic acid
  • 2-amino-4-methylene-glutaric acid
  • 4-methyleneglutamic acid
  • 2-amino-4-methylidene-pentanedioic acid
  • 7150-74-5
  • gamma-Methylene glutamic acid
  • 4-Methylene-DL-glutamic acid
  • DL-Glutamic acid, 4-methylene-
  • NSC 72472

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

Activities

Activity type Activity value Assay description Source Reference
EC50 ratio (functional) = 0.4 Ratio between EC50 of compound and glutamate measured against Metabotropic glutamate receptor 2 ChEMBL. 10229625
EC50 ratio (functional) = 1.1 Ratio between EC50 of compound and glutamate measured against metabotropic glutamate receptor 1 ChEMBL. 10229625
EC50 ratio (functional) = 0.4 Ratio between EC50 of compound and glutamate measured against Metabotropic glutamate receptor 2 ChEMBL. 10229625
EC50 ratio (functional) = 1.1 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

1 literature reference was collected for this gene.

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