Detailed information for compound 1438789

Basic information

Technical information
  • TDR Targets ID: 1438789
  • Name: 1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2 -carboxylic acid
  • MW: 253.682 | Formula: C12H12ClNO3
  • H donors: 1 H acceptors: 3 LogP: 1.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCC(=O)N1Cc1ccccc1Cl
  • InChi: 1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)
  • InChiKey: KSINVMMDBYSEMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylic acid
  • 1-[(2-chlorophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid
  • 1-(2-chlorobenzyl)-5-keto-proline
  • 1-(2-chlorobenzyl)-5-oxoproline
  • MLS000047643
  • SMR000033653
  • 4P-519S
  • Oprea1_311119

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.056 0.5447 1
Brugia malayi hypothetical protein 0.0286 0.2468 0.3776
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.056 0.5447 1
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0388 0.3579 0.523
Leishmania major eukaryotic translation initiation factor-like protein 0.056 0.5447 1
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0067 0.0092 0.0141
Giardia lamblia Hypothetical protein 0.0067 0.0092 0.5
Giardia lamblia Hypothetical protein 0.0067 0.0092 0.5
Plasmodium vivax hypothetical protein, conserved 0.0067 0.0092 0.5
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0067 0.0092 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.056 0.5447 0.8016
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.056 0.5447 1
Schistosoma mansoni serine/threonine protein kinase 0.0684 0.6795 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.056 0.5447 0.7988
Brugia malayi translation initiation factor 4E 0.056 0.5447 0.8333
Leishmania major eukaryotic translation initiation factor-like 0.056 0.5447 1
Brugia malayi Raf kinase 0.066 0.6536 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.2468 0.3564
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2468 0.3544
Giardia lamblia Translation elongation factor 0.0067 0.0092 0.5
Echinococcus granulosus raf serine:threonine protein kinase 0.0684 0.6795 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0067 0.0092 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0684 0.6795 0.5745
Plasmodium vivax translation initiation factor 4E, putative 0.0067 0.0092 0.5
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0067 0.0092 0.0141
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0067 0.0092 0.5
Loa Loa (eye worm) raf kinase 0.0681 0.6759 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.056 0.5447 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.056 0.5447 1
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.056 0.5447 0.3955
Giardia lamblia hypothetical protein 0.0067 0.0092 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.056 0.5447 1
Loa Loa (eye worm) translation initiation factor 4E 0.056 0.5447 0.8032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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