Detailed information for compound 260890

Basic information

Technical information
  • TDR Targets ID: 260890
  • Name: (2S)-2-[(4R)-4-(azidomethyl)-2-oxopyrrolidin- 1-yl]butanamide
  • MW: 225.248 | Formula: C9H15N5O2
  • H donors: 1 H acceptors: 2 LogP: 0.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H](N1C[C@@H](CC1=O)CN=[N+]=[N-])C(=O)N
  • InChi: 1S/C9H15N5O2/c1-2-7(9(10)16)14-5-6(3-8(14)15)4-12-13-11/h6-7H,2-5H2,1H3,(H2,10,16)/t6-,7-/m0/s1
  • InChiKey: YEVVLMVRPFGRTB-BQBZGAKWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[(4R)-4-(azidomethyl)-2-oxo-pyrrolidin-1-yl]butanamide
  • (2S)-2-[(4R)-4-(azidomethyl)-2-oxo-1-pyrrolidinyl]butanamide
  • (2S)-2-[(4R)-4-(azidomethyl)-2-keto-pyrrolidino]butyramide
  • (2S)-2-[(4R)-4-(azidomethyl)-2-keto-pyrrolidin-1-yl]butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Synaptic vesicle protein 2a No references

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
Loa Loa (eye worm) AMP deaminase 0.0058 0.0178 0.0178
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0935 0.8489 0.8486
Echinococcus multilocularis adenosine deaminase 0.0178 0.1319 0.1301
Leishmania major S-adenosylhomocysteine hydrolase 0.1095 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0021 0.0021
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1095 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0344 0.2884 0.1803
Echinococcus granulosus AMP deaminase 2 0.0058 0.0178 0.0158
Onchocerca volvulus Adenosine deaminase homolog 0.0178 0.1319 1
Schistosoma mansoni adenosine deaminase 0.0178 0.1319 0.1319
Plasmodium vivax adenosine deaminase, putative 0.0178 0.1319 0.1161
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0172 0.0172
Echinococcus granulosus adenosine deaminase 0.0178 0.1319 0.1301
Loa Loa (eye worm) adenosylhomocysteinase 0.1095 1 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0178 0.1319 0.1319
Loa Loa (eye worm) hypothetical protein 0.0058 0.0172 0.0172
Echinococcus multilocularis adenosylhomocysteinase 0.1095 1 1
Brugia malayi adenosine monophosphate deaminase 0.0058 0.0178 0.0178
Entamoeba histolytica adenosylhomocysteinase, putative 0.1095 1 1
Entamoeba histolytica AMP deaminase, putative 0.0058 0.0178 0.0158
Schistosoma mansoni adenosylhomocysteinase 0.0678 0.6046 0.6046
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.1095 1 1
Echinococcus granulosus adenosylhomocysteinase 0.1095 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0768 0.0768
Echinococcus multilocularis AMP deaminase 2 0.0058 0.0178 0.0158
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.1095 1 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1095 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0058 0.0178 0.0178
Entamoeba histolytica adenosine deaminase, putative 0.0178 0.1319 0.1301
Entamoeba histolytica adenosine deaminase, putative 0.0178 0.1319 0.1301
Toxoplasma gondii adenosylhomocysteinase, putative 0.1095 1 1
Schistosoma mansoni adenosine deaminase-related 0.0178 0.1319 0.1319
Brugia malayi hypothetical protein 0.0041 0.0021 0.0021
Schistosoma mansoni adenosylhomocysteinase 0.0678 0.6046 0.6046
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0178 0.1319 0.1161
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.1095 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0041 0.0021 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0172 0.0172
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.1095 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1095 1 1
Schistosoma mansoni AMP deaminase 0.0058 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0178 0.1319 0.1319
Plasmodium falciparum adenosine deaminase 0.0178 0.1319 0.1161
Treponema pallidum adenosine deaminase 0.0178 0.1319 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1095 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0768 0.0768
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.1095 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0678 0.6046 0.6046
Schistosoma mansoni adenosylhomocysteinase 0.0678 0.6046 0.6046
Schistosoma mansoni adenosylhomocysteinase 0.1095 1 1
Leishmania major adenine aminohydrolase 0.0178 0.1319 0.1161
Plasmodium falciparum adenosylhomocysteinase 0.1095 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0178 0.1319 0.1161
Loa Loa (eye worm) hypothetical protein 0.012 0.0768 0.0768
Entamoeba histolytica AMP deaminase, putative 0.0058 0.0178 0.0158
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.1095 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3.6 uM kg-1 In vivo dose required to protect 50% audiogenic seizure prone mice against clonic convulsions ChEMBL. 14736235
ED50 (functional) = 3.6 uM kg-1 In vivo dose required to protect 50% audiogenic seizure prone mice against clonic convulsions ChEMBL. 14736235
IC50 (binding) = 7.1 In vitro inhibitory activity against [3H]-(2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site ChEMBL. 14736235
Ki (binding) >= 6 Displacement of [3H]-2-[4-(3-azidophenyl)-2-oxo-1-pyrrolidinyl]butanamide from SV2A levetiracetam binding site in Sprague-Dawley rat cerebral cortex membranes after 120 mins by liquid scintillation counting method PATENT. No reference
Log IC50 (binding) = 7.1 In vitro inhibitory activity against [3H]-(2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site ChEMBL. 14736235

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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